N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C12H9ClFN3O2 — CID 110859395

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C12H9ClFN3O2/c1-6-15-5-8(11(18)16-6)12(19)17-7-2-3-10(14)9(13)4-7/h2-5H,1H3,(H,17,19)(H,15,16,18)
InChIKeyXXJQUAKKDSYJEP-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.12
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110859395) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110859395
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C12H9ClFN3O2/c1-6-15-5-8(11(18)16-6)12(19)17-7-2-3-10(14)9(13)4-7/h2-5H,1H3,(H,17,19)(H,15,16,18)
InChIKeyXXJQUAKKDSYJEP-UHFFFAOYSA-N
XLogP2.12
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857421
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766208
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 56921801
N-(3-chloro-4-methylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648629
N-(3-chloro-4-fluorophenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498018
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110859395) is N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)[nH]1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XXJQUAKKDSYJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-6-15-5-8(11(18)16-6)12(19)17-7-2-3-10(14)9(13)4-7/h2-5H,1H3,(H,17,19)(H,15,16,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 281.67 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110859395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).