5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide

C18H14ClNO — CID 17101827

IUPAC5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccccc1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C18H14ClNO/c1-12-6-2-3-11-17(12)20-18(21)15-9-4-8-14-13(15)7-5-10-16(14)19/h2-11H,1H3,(H,20,21)
InChIKeyLCNYNNYUVBDZHF-UHFFFAOYSA-N
MW295.77 g/mol
LogP5.05
Rot. Bonds2

About 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide

5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide (PubChem CID 17101827) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
PubChem CID17101827
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccccc1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C18H14ClNO/c1-12-6-2-3-11-17(12)20-18(21)15-9-4-8-14-13(15)7-5-10-16(14)19/h2-11H,1H3,(H,20,21)
InChIKeyLCNYNNYUVBDZHF-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 22780345
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide
CID 71046726
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide
CID 100999874
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide (CID 17101827) is 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide is Cc1ccccc1NC(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is LCNYNNYUVBDZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-12-6-2-3-11-17(12)20-18(21)15-9-4-8-14-13(15)7-5-10-16(14)19/h2-11H,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide?
5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 17101827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).