2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide

C20H17ClN4O2 — CID 109317161

IUPAC2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nccc(C(=O)Nc3cc(Cl)ccc3C)n2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-12-3-6-15(21)11-18(12)24-19(27)17-9-10-22-20(25-17)23-16-7-4-14(5-8-16)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyZEJNIMJXVOLSRF-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.64
Rot. Bonds5

About 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide

2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109317161) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109317161
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2nccc(C(=O)Nc3cc(Cl)ccc3C)n2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-12-3-6-15(21)11-18(12)24-19(27)17-9-10-22-20(25-17)23-16-7-4-14(5-8-16)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyZEJNIMJXVOLSRF-UHFFFAOYSA-N
XLogP4.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
2-(2,5-dichloroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314955
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
2-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317120
2-(4-acetylanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318222
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311775
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide (CID 109317161) is 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2nccc(C(=O)Nc3cc(Cl)ccc3C)n2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZEJNIMJXVOLSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12-3-6-15(21)11-18(12)24-19(27)17-9-10-22-20(25-17)23-16-7-4-14(5-8-16)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide?
2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).