5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide

C18H13Cl2NO — CID 17102027

IUPAC5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl
InChIInChI=1S/C18H13Cl2NO/c1-11-8-9-12(10-17(11)20)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)19/h2-10H,1H3,(H,21,22)
InChIKeyFJXGFSPAXAFFBD-UHFFFAOYSA-N
MW330.21 g/mol
LogP5.71
Rot. Bonds2

About 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide

5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 17102027) has the molecular formula C18H13Cl2NO and a molecular weight of 330.21 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
PubChem CID17102027
Molecular FormulaC18H13Cl2NO
Molecular Weight330.21 g/mol
Exact Mass329.04
IUPAC Name5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl
InChIInChI=1S/C18H13Cl2NO/c1-11-8-9-12(10-17(11)20)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)19/h2-10H,1H3,(H,21,22)
InChIKeyFJXGFSPAXAFFBD-UHFFFAOYSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.21
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide
CID 29244386
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622
5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 22780345
N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
CID 710986
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide (CID 17102027) is 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide is Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is FJXGFSPAXAFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO/c1-11-8-9-12(10-17(11)20)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)19/h2-10H,1H3,(H,21,22).
What are the key properties of 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide?
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 330.21 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 17102027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).