4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid

C156H116N14O23S — CID 162260712

IUPAC4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)Nc4cccc5cccc(C)c45)cc3)cc2)cc1.Cc1cccc2cccc(NC(=O)c3ccc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)cc3)c12.Cc1cccc2cccc(NC(=O)c3ccc(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)c12.O=C(Nc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c4ccccc34)cc2)cc1)c1ccc([N+](=O)[O-])cc1.O=C(Nc1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4ccccc34)cc2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C33H26N2O4.C31H21N3O6.C31H23N3O4.C31H25N3O2.C30H21N3O7S/c1-21-5-3-6-24-7-4-8-29(30(21)24)35-32(37)26-11-9-22(10-12-26)23-17-19-28(20-18-23)34-31(36)25-13-15-27(16-14-25)33(38)39-2;35-29(22-11-15-24(16-12-22)34(39)40)32-23-13-9-20(10-14-23)19-5-7-21(8-6-19)30(36)33-28-18-17-27(31(37)38)25-3-1-2-4-26(25)28;1-20-4-2-5-23-6-3-7-28(29(20)23)33-31(36)24-10-8-21(9-11-24)22-12-16-26(17-13-22)32-30(35)25-14-18-27(19-15-25)34(37)38;1-20-4-2-5-23-6-3-7-28(29(20)23)34-31(36)24-10-8-21(9-11-24)22-14-18-27(19-15-22)33-30(35)25-12-16-26(32)17-13-25;34-29(22-11-15-24(16-12-22)33(36)37)31-23-13-9-20(10-14-23)19-5-7-21(8-6-19)30(35)32-27-17-18-28(41(38,39)40)26-4-2-1-3-25(26)27/h3-20H,1-2H3,(H,34,36)(H,35,37);1-18H,(H,32,35)(H,33,36)(H,37,38);2-19H,1H3,(H,32,35)(H,33,36);2-19H,32H2,1H3,(H,33,35)(H,34,36);1-18H,(H,31,34)(H,32,35)(H,38,39,40)
InChIKeyZZFCSYIPCDUAHA-UHFFFAOYSA-N
MW2586.79 g/mol
LogP34.02
Rot. Bonds31

About 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid

4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid (PubChem CID 162260712) has the molecular formula C156H116N14O23S and a molecular weight of 2586.79 g/mol. Its IUPAC name is 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid
PubChem CID162260712
Molecular FormulaC156H116N14O23S
Molecular Weight2586.79 g/mol
Exact Mass2584.81
IUPAC Name4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)Nc4cccc5cccc(C)c45)cc3)cc2)cc1.Cc1cccc2cccc(NC(=O)c3ccc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)cc3)c12.Cc1cccc2cccc(NC(=O)c3ccc(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)c12.O=C(Nc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c4ccccc34)cc2)cc1)c1ccc([N+](=O)[O-])cc1.O=C(Nc1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4ccccc34)cc2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C33H26N2O4.C31H21N3O6.C31H23N3O4.C31H25N3O2.C30H21N3O7S/c1-21-5-3-6-24-7-4-8-29(30(21)24)35-32(37)26-11-9-22(10-12-26)23-17-19-28(20-18-23)34-31(36)25-13-15-27(16-14-25)33(38)39-2;35-29(22-11-15-24(16-12-22)34(39)40)32-23-13-9-20(10-14-23)19-5-7-21(8-6-19)30(36)33-28-18-17-27(31(37)38)25-3-1-2-4-26(25)28;1-20-4-2-5-23-6-3-7-28(29(20)23)33-31(36)24-10-8-21(9-11-24)22-12-16-26(17-13-22)32-30(35)25-14-18-27(19-15-25)34(37)38;1-20-4-2-5-23-6-3-7-28(29(20)23)34-31(36)24-10-8-21(9-11-24)22-14-18-27(19-15-22)33-30(35)25-12-16-26(32)17-13-25;34-29(22-11-15-24(16-12-22)33(36)37)31-23-13-9-20(10-14-23)19-5-7-21(8-6-19)30(35)32-27-17-18-28(41(38,39)40)26-4-2-1-3-25(26)27/h3-20H,1-2H3,(H,34,36)(H,35,37);1-18H,(H,32,35)(H,33,36)(H,37,38);2-19H,1H3,(H,32,35)(H,33,36);2-19H,32H2,1H3,(H,33,35)(H,34,36);1-18H,(H,31,34)(H,32,35)(H,38,39,40)
InChIKeyZZFCSYIPCDUAHA-UHFFFAOYSA-N
XLogP34.02
TPSA564.41 Ų
H-Bond Donors13
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002586.79
LogP ≤ 534.02
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid with MolForge

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Related Compounds

8-[[4-[4-[(4-aminobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid
CID 129275749
4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid
CID 155204519
4-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-[4-[[4-(4-methoxycarbonylphenyl)benzoyl]amino]phenyl]benzenecarboximidoyl]amino]naphthalene-1-carboxylic acid
CID 155204463
8-[[4-[[4-[2-oxo-2-[4-[[4-[(4-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]anilino]ethyl]benzoyl]amino]benzoyl]amino]naphthalene-1,3-disulfonic acid
CID 158178634
methyl 4-[4-[[4-[5-[(4-acetylnaphthalen-1-yl)carbamoyl]thiophen-2-yl]phenyl]carbamoyl]phenyl]benzoate
CID 165095438
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
5-[[3-[(4-nitrobenzoyl)amino]-4-phenylphenyl]carbamoyl]naphthalene-2-sulfonic acid
CID 163233088
2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
4-[(4-aminobenzoyl)amino]-8-hydroxynaphthalene-1-sulfonic acid
CID 23348060
5-[[3-carbamoyl-5-[(4-nitrobenzoyl)amino]benzoyl]amino]naphthalene-2-sulfonic acid
CID 141031709
N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide
CID 4049338
2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid?
The IUPAC name of 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid (CID 162260712) is 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid.
What is the SMILES notation for 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid?
The canonical SMILES for 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid is COC(=O)c1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)Nc4cccc5cccc(C)c45)cc3)cc2)cc1.Cc1cccc2cccc(NC(=O)c3ccc(-c4ccc(NC(=O)c5ccc(N)cc5)cc4)cc3)c12.Cc1cccc2cccc(NC(=O)c3ccc(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])cc5)cc4)cc3)c12.O=C(Nc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c4ccccc34)cc2)cc1)c1ccc([N+](=O)[O-])cc1.O=C(Nc1ccc(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4ccccc34)cc2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid?
The InChIKey is ZZFCSYIPCDUAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O4.C31H21N3O6.C31H23N3O4.C31H25N3O2.C30H21N3O7S/c1-21-5-3-6-24-7-4-8-29(30(21)24)35-32(37)26-11-9-22(10-12-26)23-17-19-28(20-18-23)34-31(36)25-13-15-27(16-14-25)33(38)39-2;35-29(22-11-15-24(16-12-22)34(39)40)32-23-13-9-20(10-14-23)19-5-7-21(8-6-19)30(36)33-28-18-17-27(31(37)38)25-3-1-2-4-26(25)28;1-20-4-2-5-23-6-3-7-28(29(20)23)33-31(36)24-10-8-21(9-11-24)22-12-16-26(17-13-22)32-30(35)25-14-18-27(19-15-25)34(37)38;1-20-4-2-5-23-6-3-7-28(29(20)23)34-31(36)24-10-8-21(9-11-24)22-14-18-27(19-15-22)33-30(35)25-12-16-26(32)17-13-25;34-29(22-11-15-24(16-12-22)33(36)37)31-23-13-9-20(10-14-23)19-5-7-21(8-6-19)30(35)32-27-17-18-28(41(38,39)40)26-4-2-1-3-25(26)27/h3-20H,1-2H3,(H,34,36)(H,35,37);1-18H,(H,32,35)(H,33,36)(H,37,38);2-19H,1H3,(H,32,35)(H,33,36);2-19H,32H2,1H3,(H,33,35)(H,34,36);1-18H,(H,31,34)(H,32,35)(H,38,39,40).
What are the key properties of 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid?
4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid has a molecular weight of 2586.79 g/mol, XLogP of 34.02, 31 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-aminobenzoyl)amino]phenyl]-N-(8-methylnaphthalen-1-yl)benzamide;methyl 4-[[4-[4-[(8-methylnaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate;N-(8-methylnaphthalen-1-yl)-4-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-carboxylic acid;4-[[4-[4-[(4-nitrobenzoyl)amino]phenyl]benzoyl]amino]naphthalene-1-sulfonic acid is sourced from PubChem (CID 162260712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).