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

C19H16ClNO3 — CID 17101910

IUPAC5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c(Cl)cccc23)c(OC)c1
InChIInChI=1S/C19H16ClNO3/c1-23-12-9-10-17(18(11-12)24-2)21-19(22)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-11H,1-2H3,(H,21,22)
InChIKeyUMQOBRBUNDARMI-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.76
Rot. Bonds4

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

5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide (PubChem CID 17101910) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
PubChem CID17101910
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c(Cl)cccc23)c(OC)c1
InChIInChI=1S/C19H16ClNO3/c1-23-12-9-10-17(18(11-12)24-2)21-19(22)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-11H,1-2H3,(H,21,22)
InChIKeyUMQOBRBUNDARMI-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

2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
N-(2,3-dichlorophenyl)-2,4-dimethoxybenzamide
CID 789234
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 3315557

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide (CID 17101910) is 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide is COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)c(OC)c1.
What is the InChIKey of 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide?
The InChIKey is UMQOBRBUNDARMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-23-12-9-10-17(18(11-12)24-2)21-19(22)15-7-3-6-14-13(15)5-4-8-16(14)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide?
5-chloro-N-(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 5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 17101910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).