4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline

C25H23Cl2N3O2 — CID 145160136

IUPAC4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1N.Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2c(N)c1O
InChIInChI=1S/C18H15ClN2O2.C7H8ClN/c1-10-6-7-12(19)9-15(10)21-18(23)14-8-11-4-2-3-5-13(11)16(20)17(14)22;1-5-2-3-6(8)4-7(5)9/h2-9,22H,20H2,1H3,(H,21,23);2-4H,9H2,1H3
InChIKeyCKEIWDKKBWQKBD-UHFFFAOYSA-N
MW468.38 g/mol
LogP6.57
Rot. Bonds2

About 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline

4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline (PubChem CID 145160136) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline
PubChem CID145160136
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC Name4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1N.Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2c(N)c1O
InChIInChI=1S/C18H15ClN2O2.C7H8ClN/c1-10-6-7-12(19)9-15(10)21-18(23)14-8-11-4-2-3-5-13(11)16(20)17(14)22;1-5-2-3-6(8)4-7(5)9/h2-9,22H,20H2,1H3,(H,21,23);2-4H,9H2,1H3
InChIKeyCKEIWDKKBWQKBD-UHFFFAOYSA-N
XLogP6.57
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 56.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_no_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
CID 145215535
4-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 136620067
4-amino-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide;3-amino-4-methoxybenzamide
CID 145216667
4-[(5-carbamoyl-2-methoxyphenyl)diazenyl]-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 3022731
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
CID 18072338

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline?
The IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline (CID 145160136) is 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline.
What is the SMILES notation for 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline?
The canonical SMILES for 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline is Cc1ccc(Cl)cc1N.Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2c(N)c1O.
What is the InChIKey of 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline?
The InChIKey is CKEIWDKKBWQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2.C7H8ClN/c1-10-6-7-12(19)9-15(10)21-18(23)14-8-11-4-2-3-5-13(11)16(20)17(14)22;1-5-2-3-6(8)4-7(5)9/h2-9,22H,20H2,1H3,(H,21,23);2-4H,9H2,1H3.
What are the key properties of 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline?
4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline has a molecular weight of 468.38 g/mol, XLogP of 6.57, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-methylphenyl)-3-hydroxynaphthalene-2-carboxamide;5-chloro-2-methylaniline is sourced from PubChem (CID 145160136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).