2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide

C20H17ClN4O2 — CID 109268941

IUPAC2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3C)cn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-17(21)7-4-8-18(12)25-19(27)15-10-22-20(23-11-15)24-16-6-3-5-14(9-16)13(2)26/h3-11H,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyRIUXUYCGJVLYPP-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.64
Rot. Bonds5

About 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide

2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109268941) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109268941
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
SMILESCC(=O)c1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3C)cn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-17(21)7-4-8-18(12)25-19(27)15-10-22-20(23-11-15)24-16-6-3-5-14(9-16)13(2)26/h3-11H,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyRIUXUYCGJVLYPP-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

N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265600
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177564
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
N-(3-chloro-2-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267962
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
6-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 109163558
1-[3-[[5-(3-chloro-2-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112966164
N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109358316
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide (CID 109268941) is 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide is CC(=O)c1cccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3C)cn2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is RIUXUYCGJVLYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12-17(21)7-4-8-18(12)25-19(27)15-10-22-20(23-11-15)24-16-6-3-5-14(9-16)13(2)26/h3-11H,1-2H3,(H,25,27)(H,22,23,24).
What are the key properties of 2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide?
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-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-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).