5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide

C18H14ClNO2 — CID 17101907

IUPAC5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1
InChIInChI=1S/C18H14ClNO2/c1-22-13-10-8-12(9-11-13)20-18(21)16-6-2-5-15-14(16)4-3-7-17(15)19/h2-11H,1H3,(H,20,21)
InChIKeyQLJVBYZLKDOIMZ-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.75
Rot. Bonds3

About 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide

5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide (PubChem CID 17101907) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
PubChem CID17101907
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1
InChIInChI=1S/C18H14ClNO2/c1-22-13-10-8-12(9-11-13)20-18(21)16-6-2-5-15-14(16)4-3-7-17(15)19/h2-11H,1H3,(H,20,21)
InChIKeyQLJVBYZLKDOIMZ-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
propan-2-yl 4-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17358321
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
N-(4-methoxyphenyl)dibenzofuran-1-carboxamide
CID 134956238
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867
5-chloro-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 4666870
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
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-(4-methoxyphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide (CID 17101907) is 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide is COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1.
What is the InChIKey of 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide?
The InChIKey is QLJVBYZLKDOIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-22-13-10-8-12(9-11-13)20-18(21)16-6-2-5-15-14(16)4-3-7-17(15)19/h2-11H,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide?
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 17101907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).