5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide

C19H16ClNO — CID 2993699

IUPAC5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C19H16ClNO/c1-12-6-3-7-13(2)18(12)21-19(22)16-10-4-9-15-14(16)8-5-11-17(15)20/h3-11H,1-2H3,(H,21,22)
InChIKeyRVBHJCLVVDYDGU-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.36
Rot. Bonds2

About 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide

5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide (PubChem CID 2993699) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
PubChem CID2993699
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C19H16ClNO/c1-12-6-3-7-13(2)18(12)21-19(22)16-10-4-9-15-14(16)8-5-11-17(15)20/h3-11H,1-2H3,(H,21,22)
InChIKeyRVBHJCLVVDYDGU-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

5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 22780345
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
CID 706333

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide (CID 2993699) is 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide is Cc1cccc(C)c1NC(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide?
The InChIKey is RVBHJCLVVDYDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-12-6-3-7-13(2)18(12)21-19(22)16-10-4-9-15-14(16)8-5-11-17(15)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide?
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-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 5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 2993699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).