2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid

C67H54Cl5N3O11 — CID 159441920

IUPAC2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O.COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1OC(=O)c1cc2ccccc2cc1C.COc1cc2ccccc2cc1C(=O)O.ClCCl.Nc1ccc(Cl)cc1O
InChIInChI=1S/C30H22ClNO4.C18H14ClNO3.C12H10O3.C6H6ClNO.CH2Cl2/c1-18-13-19-7-3-4-8-20(19)14-24(18)30(34)36-28-17-23(31)11-12-26(28)32-29(33)25-15-21-9-5-6-10-22(21)16-27(25)35-2;1-23-17-9-12-5-3-2-4-11(12)8-14(17)18(22)20-15-7-6-13(19)10-16(15)21;1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14;7-4-1-2-5(8)6(9)3-4;2-1-3/h3-17H,1-2H3,(H,32,33);2-10,21H,1H3,(H,20,22);2-7H,1H3,(H,13,14);1-3,9H,8H2;1H2
InChIKeyLSGXAUKYWNSGCO-UHFFFAOYSA-N
MW1254.44 g/mol
LogP17.49
Rot. Bonds10

About 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid

2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid (PubChem CID 159441920) has the molecular formula C67H54Cl5N3O11 and a molecular weight of 1254.44 g/mol. Its IUPAC name is 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid
PubChem CID159441920
Molecular FormulaC67H54Cl5N3O11
Molecular Weight1254.44 g/mol
Exact Mass1251.22
IUPAC Name2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O.COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1OC(=O)c1cc2ccccc2cc1C.COc1cc2ccccc2cc1C(=O)O.ClCCl.Nc1ccc(Cl)cc1O
InChIInChI=1S/C30H22ClNO4.C18H14ClNO3.C12H10O3.C6H6ClNO.CH2Cl2/c1-18-13-19-7-3-4-8-20(19)14-24(18)30(34)36-28-17-23(31)11-12-26(28)32-29(33)25-15-21-9-5-6-10-22(21)16-27(25)35-2;1-23-17-9-12-5-3-2-4-11(12)8-14(17)18(22)20-15-7-6-13(19)10-16(15)21;1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14;7-4-1-2-5(8)6(9)3-4;2-1-3/h3-17H,1-2H3,(H,32,33);2-10,21H,1H3,(H,20,22);2-7H,1H3,(H,13,14);1-3,9H,8H2;1H2
InChIKeyLSGXAUKYWNSGCO-UHFFFAOYSA-N
XLogP17.49
TPSA215.97 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001254.44
LogP ≤ 517.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid with MolForge

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoic acid
CID 108766491
N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
CID 104756975
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
CID 90477654
CID 90477654
3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]naphthalene-2-carboxamide
CID 71566397
methyl 4-[(5-chloro-2-methoxybenzoyl)amino]-3-hydroxybenzoate
CID 108767153
3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
CID 90944531
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
3-(3-aminopropoxy)-N-[2-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]naphthalen-2-yl]oxyethyl]-6-methylnaphthalene-2-carboxamide
CID 167229831
[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] methyl hydrogen phosphate
CID 123775354
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid (CID 159441920) is 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid is COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O.COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1OC(=O)c1cc2ccccc2cc1C.COc1cc2ccccc2cc1C(=O)O.ClCCl.Nc1ccc(Cl)cc1O.
What is the InChIKey of 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid?
The InChIKey is LSGXAUKYWNSGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClNO4.C18H14ClNO3.C12H10O3.C6H6ClNO.CH2Cl2/c1-18-13-19-7-3-4-8-20(19)14-24(18)30(34)36-28-17-23(31)11-12-26(28)32-29(33)25-15-21-9-5-6-10-22(21)16-27(25)35-2;1-23-17-9-12-5-3-2-4-11(12)8-14(17)18(22)20-15-7-6-13(19)10-16(15)21;1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14;7-4-1-2-5(8)6(9)3-4;2-1-3/h3-17H,1-2H3,(H,32,33);2-10,21H,1H3,(H,20,22);2-7H,1H3,(H,13,14);1-3,9H,8H2;1H2.
What are the key properties of 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid?
2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid has a molecular weight of 1254.44 g/mol, XLogP of 17.49, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chlorophenol;N-(4-chloro-2-hydroxyphenyl)-3-methoxynaphthalene-2-carboxamide;[5-chloro-2-[(3-methoxynaphthalene-2-carbonyl)amino]phenyl] 3-methylnaphthalene-2-carboxylate;dichloromethane;3-methoxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 159441920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).