N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide

C19H16ClNO — CID 7749916

IUPACN-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C19H16ClNO/c1-12-9-13(2)18(17(20)10-12)21-19(22)16-8-7-14-5-3-4-6-15(14)11-16/h3-11H,1-2H3,(H,21,22)
InChIKeyJWCUZLVOYKYDBX-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.36
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide

N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide (PubChem CID 7749916) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
PubChem CID7749916
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C19H16ClNO/c1-12-9-13(2)18(17(20)10-12)21-19(22)16-8-7-14-5-3-4-6-15(14)11-16/h3-11H,1-2H3,(H,21,22)
InChIKeyJWCUZLVOYKYDBX-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide
CID 16775537
4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521
N-(2-amino-4,6-dichlorophenyl)naphthalene-2-carboxamide
CID 16776490
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099984
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
4-chloro-N-(2-chloro-4,6-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3972572
N-(2-chloro-4,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4004468
N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388196

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide (CID 7749916) is N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide?
The InChIKey is JWCUZLVOYKYDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-12-9-13(2)18(17(20)10-12)21-19(22)16-8-7-14-5-3-4-6-15(14)11-16/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 7749916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).