N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C18H14ClN3O2 — CID 92648629

IUPACN-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1Cl
InChIInChI=1S/C18H14ClN3O2/c1-11-7-8-13(9-15(11)19)21-17(23)14-10-20-16(22-18(14)24)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H,20,22,24)
InChIKeyIIANJIGCGKZMCS-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.65
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648629) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648629
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1Cl
InChIInChI=1S/C18H14ClN3O2/c1-11-7-8-13(9-15(11)19)21-17(23)14-10-20-16(22-18(14)24)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H,20,22,24)
InChIKeyIIANJIGCGKZMCS-UHFFFAOYSA-N
XLogP3.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648623
N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648657
6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648652
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648757
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648753
methyl 5-[(6-oxo-2-phenyl-1H-pyrimidine-5-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 92648749
N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786335
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648710
N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110859395
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857421

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648629) is N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is IIANJIGCGKZMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-11-7-8-13(9-15(11)19)21-17(23)14-10-20-16(22-18(14)24)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H,20,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).