N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide

C23H16ClNO3 — CID 20854042

IUPACN-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C23H16ClNO3/c1-14-11-12-19(18(24)13-14)25-22(26)21-20(15-7-3-2-4-8-15)16-9-5-6-10-17(16)23(27)28-21/h2-13H,1H3,(H,25,26)
InChIKeyFJDWPHCSNRQGDG-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.67
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide

N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide (PubChem CID 20854042) has the molecular formula C23H16ClNO3 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
PubChem CID20854042
Molecular FormulaC23H16ClNO3
Molecular Weight389.84 g/mol
Exact Mass389.08
IUPAC NameN-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C23H16ClNO3/c1-14-11-12-19(18(24)13-14)25-22(26)21-20(15-7-3-2-4-8-15)16-9-5-6-10-17(16)23(27)28-21/h2-13H,1H3,(H,25,26)
InChIKeyFJDWPHCSNRQGDG-UHFFFAOYSA-N
XLogP5.67
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-oxoisochromene-4-carboxamide
CID 4183425
N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4069125
N-(2-chloro-4-methylphenyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344639
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
CID 62488219
N-(2-chloro-4-methylphenyl)-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 86840936
1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide
CID 4073647
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4660207
N-[3-(N-ethyl-3-methylanilino)propyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4062779
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide (CID 20854042) is N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide is Cc1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The InChIKey is FJDWPHCSNRQGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3/c1-14-11-12-19(18(24)13-14)25-22(26)21-20(15-7-3-2-4-8-15)16-9-5-6-10-17(16)23(27)28-21/h2-13H,1H3,(H,25,26).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide?
N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide is sourced from PubChem (CID 20854042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).