2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide

C20H17ClN4O2 — CID 109257457

IUPAC2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)14-6-8-17(9-7-14)25-20-23-11-16(12-24-20)19(27)22-10-15-4-2-3-5-18(15)21/h2-9,11-12H,10H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyAADHYNZTKZOKEF-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide

2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109257457) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109257457
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)14-6-8-17(9-7-14)25-20-23-11-16(12-24-20)19(27)22-10-15-4-2-3-5-18(15)21/h2-9,11-12H,10H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyAADHYNZTKZOKEF-UHFFFAOYSA-N
XLogP4.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]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

2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257443
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109156880
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471
2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254991
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide (CID 109257457) is 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide is CC(=O)c1ccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)cc1.
What is the InChIKey of 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is AADHYNZTKZOKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13(26)14-6-8-17(9-7-14)25-20-23-11-16(12-24-20)19(27)22-10-15-4-2-3-5-18(15)21/h2-9,11-12H,10H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).