N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide

C18H14ClNO2 — CID 20816888

IUPACN-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C18H14ClNO2/c19-16-10-15(17(21)14-9-5-4-8-13(14)16)18(22)20-11-12-6-2-1-3-7-12/h1-10,21H,11H2,(H,20,22)
InChIKeyAKXSQQGIWAUINT-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.13
Rot. Bonds3

About N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide

N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide (PubChem CID 20816888) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
PubChem CID20816888
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC NameN-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C18H14ClNO2/c19-16-10-15(17(21)14-9-5-4-8-13(14)16)18(22)20-11-12-6-2-1-3-7-12/h1-10,21H,11H2,(H,20,22)
InChIKeyAKXSQQGIWAUINT-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 134097117
N-benzyl-5-chloro-2,4-dihydroxybenzamide
CID 137440573
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 110483824
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
CID 111860717
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate
CID 66701166
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide (CID 20816888) is N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide is O=C(NCc1ccccc1)c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is AKXSQQGIWAUINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-16-10-15(17(21)14-9-5-4-8-13(14)16)18(22)20-11-12-6-2-1-3-7-12/h1-10,21H,11H2,(H,20,22).
What are the key properties of N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide?
N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 20816888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).