N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide

C101H110BrI4N7O9 — CID 161301511

IUPACN-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide
SMILESCCCCNC(=O)C(C1CCCC1)N(C(=O)c1ccccc1I)c1ccc(C)c(Br)c1.CCCCNC(=O)C(C1CCCC1)N(C(=O)c1ccccc1I)c1ccccc1.O=C(Nc1ccc2ccccc2c1)C(C1CCCCC1)N(C(=O)c1ccccc1I)c1ccccc1.O=C(O)C(C1CCCCC1)N(C(=O)c1ccccc1I)c1ccccc1
InChIInChI=1S/C31H29IN2O2.C25H30BrIN2O2.C24H29IN2O2.C21H22INO3/c32-28-18-10-9-17-27(28)31(36)34(26-15-5-2-6-16-26)29(23-12-3-1-4-13-23)30(35)33-25-20-19-22-11-7-8-14-24(22)21-25;1-3-4-15-28-24(30)23(18-9-5-6-10-18)29(19-14-13-17(2)21(26)16-19)25(31)20-11-7-8-12-22(20)27;1-2-3-17-26-23(28)22(18-11-7-8-12-18)27(19-13-5-4-6-14-19)24(29)20-15-9-10-16-21(20)25;22-18-14-8-7-13-17(18)20(24)23(16-11-5-2-6-12-16)19(21(25)26)15-9-3-1-4-10-15/h2,5-11,14-21,23,29H,1,3-4,12-13H2,(H,33,35);7-8,11-14,16,18,23H,3-6,9-10,15H2,1-2H3,(H,28,30);4-6,9-10,13-16,18,22H,2-3,7-8,11-12,17H2,1H3,(H,26,28);2,5-8,11-15,19H,1,3-4,9-10H2,(H,25,26)
InChIKeyVHRJILRTVVTJBH-UHFFFAOYSA-N
MW2153.55 g/mol
LogP24.55
Rot. Bonds27

About N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide

N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide (PubChem CID 161301511) has the molecular formula C101H110BrI4N7O9 and a molecular weight of 2153.55 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide
PubChem CID161301511
Molecular FormulaC101H110BrI4N7O9
Molecular Weight2153.55 g/mol
Exact Mass2151.37
IUPAC NameN-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide
SMILESCCCCNC(=O)C(C1CCCC1)N(C(=O)c1ccccc1I)c1ccc(C)c(Br)c1.CCCCNC(=O)C(C1CCCC1)N(C(=O)c1ccccc1I)c1ccccc1.O=C(Nc1ccc2ccccc2c1)C(C1CCCCC1)N(C(=O)c1ccccc1I)c1ccccc1.O=C(O)C(C1CCCCC1)N(C(=O)c1ccccc1I)c1ccccc1
InChIInChI=1S/C31H29IN2O2.C25H30BrIN2O2.C24H29IN2O2.C21H22INO3/c32-28-18-10-9-17-27(28)31(36)34(26-15-5-2-6-16-26)29(23-12-3-1-4-13-23)30(35)33-25-20-19-22-11-7-8-14-24(22)21-25;1-3-4-15-28-24(30)23(18-9-5-6-10-18)29(19-14-13-17(2)21(26)16-19)25(31)20-11-7-8-12-22(20)27;1-2-3-17-26-23(28)22(18-11-7-8-12-18)27(19-13-5-4-6-14-19)24(29)20-15-9-10-16-21(20)25;22-18-14-8-7-13-17(18)20(24)23(16-11-5-2-6-12-16)19(21(25)26)15-9-3-1-4-10-15/h2,5-11,14-21,23,29H,1,3-4,12-13H2,(H,33,35);7-8,11-14,16,18,23H,3-6,9-10,15H2,1-2H3,(H,28,30);4-6,9-10,13-16,18,22H,2-3,7-8,11-12,17H2,1H3,(H,26,28);2,5-8,11-15,19H,1,3-4,9-10H2,(H,25,26)
InChIKeyVHRJILRTVVTJBH-UHFFFAOYSA-N
XLogP24.55
TPSA205.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002153.55
LogP ≤ 524.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide with MolForge

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Related Compounds

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N,2-diphenylbenzamide
CID 140923009
N-benzyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-hexyl-2-iodobenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-iodo-N-prop-2-enylbenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodobenzamide;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 159140811
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methyl-N-prop-2-ynylbenzamide;ethane
CID 145207801
N-butyl-2-cyclohexyl-2-(N-[3-(2-methylphenyl)oxiran-2-yl]anilino)acetamide
CID 145207815
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynyl-2-(trifluoromethyl)benzamide
CID 155088072
(2R)-2-(butylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592870
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)
CID 158480946
N-[3-(cycloheptylcarbamoyl)phenyl]-2-iodobenzamide
CID 68778177
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
N-(3-bromo-4-methylphenyl)-2-ethylhexanamide
CID 55223159

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide (CID 161301511) is N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide is CCCCNC(=O)C(C1CCCC1)N(C(=O)c1ccccc1I)c1ccc(C)c(Br)c1.CCCCNC(=O)C(C1CCCC1)N(C(=O)c1ccccc1I)c1ccccc1.O=C(Nc1ccc2ccccc2c1)C(C1CCCCC1)N(C(=O)c1ccccc1I)c1ccccc1.O=C(O)C(C1CCCCC1)N(C(=O)c1ccccc1I)c1ccccc1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide?
The InChIKey is VHRJILRTVVTJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29IN2O2.C25H30BrIN2O2.C24H29IN2O2.C21H22INO3/c32-28-18-10-9-17-27(28)31(36)34(26-15-5-2-6-16-26)29(23-12-3-1-4-13-23)30(35)33-25-20-19-22-11-7-8-14-24(22)21-25;1-3-4-15-28-24(30)23(18-9-5-6-10-18)29(19-14-13-17(2)21(26)16-19)25(31)20-11-7-8-12-22(20)27;1-2-3-17-26-23(28)22(18-11-7-8-12-18)27(19-13-5-4-6-14-19)24(29)20-15-9-10-16-21(20)25;22-18-14-8-7-13-17(18)20(24)23(16-11-5-2-6-12-16)19(21(25)26)15-9-3-1-4-10-15/h2,5-11,14-21,23,29H,1,3-4,12-13H2,(H,33,35);7-8,11-14,16,18,23H,3-6,9-10,15H2,1-2H3,(H,28,30);4-6,9-10,13-16,18,22H,2-3,7-8,11-12,17H2,1H3,(H,26,28);2,5-8,11-15,19H,1,3-4,9-10H2,(H,25,26).
What are the key properties of N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide?
N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide has a molecular weight of 2153.55 g/mol, XLogP of 24.55, 27 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodobenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-phenylbenzamide;2-cyclohexyl-2-(N-(2-iodobenzoyl)anilino)acetic acid;N-[1-cyclohexyl-2-(naphthalen-2-ylamino)-2-oxoethyl]-2-iodo-N-phenylbenzamide is sourced from PubChem (CID 161301511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).