N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide

C19H15ClN4O2 — CID 109268784

IUPACN-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3)nc2)c1
InChIInChI=1S/C19H15ClN4O2/c1-12(25)13-4-2-6-16(8-13)23-18(26)14-10-21-19(22-11-14)24-17-7-3-5-15(20)9-17/h2-11H,1H3,(H,23,26)(H,21,22,24)
InChIKeyPEALSINNUBLGEW-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.33
Rot. Bonds5

About N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide

N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide (PubChem CID 109268784) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
PubChem CID109268784
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3)nc2)c1
InChIInChI=1S/C19H15ClN4O2/c1-12(25)13-4-2-6-16(8-13)23-18(26)14-10-21-19(22-11-14)24-17-7-3-5-15(20)9-17/h2-11H,1H3,(H,23,26)(H,21,22,24)
InChIKeyPEALSINNUBLGEW-UHFFFAOYSA-N
XLogP4.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268941
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109270091
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide (CID 109268784) is N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(Nc3cccc(Cl)c3)nc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide?
The InChIKey is PEALSINNUBLGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12(25)13-4-2-6-16(8-13)23-18(26)14-10-21-19(22-11-14)24-17-7-3-5-15(20)9-17/h2-11H,1H3,(H,23,26)(H,21,22,24).
What are the key properties of N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide?
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).