N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide

C19H16ClNO3 — CID 823910

IUPACN-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C19H16ClNO3/c1-23-17-11-18(24-2)16(10-15(17)20)21-19(22)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,21,22)
InChIKeyAAOMTOLCSIHZLA-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.76
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide (PubChem CID 823910) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
PubChem CID823910
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cccc3ccccc23)cc1Cl
InChIInChI=1S/C19H16ClNO3/c1-23-17-11-18(24-2)16(10-15(17)20)21-19(22)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,21,22)
InChIKeyAAOMTOLCSIHZLA-UHFFFAOYSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
sodium 3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]naphthalen-2-olate
CID 23668732
N-(5-chloro-2,4-dimethoxyphenyl)-2-methylquinoline-4-carboxamide
CID 26210631
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide (CID 823910) is N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide is COc1cc(OC)c(NC(=O)c2cccc3ccccc23)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide?
The InChIKey is AAOMTOLCSIHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-23-17-11-18(24-2)16(10-15(17)20)21-19(22)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 823910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).