2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide

C19H16Cl2N4O — CID 109309818

IUPAC2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4O/c20-14-6-4-13(5-7-14)8-10-22-18(26)17-9-11-23-19(25-17)24-16-3-1-2-15(21)12-16/h1-7,9,11-12H,8,10H2,(H,22,26)(H,23,24,25)
InChIKeyYRFFBMAGSQNKFZ-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.50
Rot. Bonds6

About 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide

2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109309818) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109309818
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C19H16Cl2N4O/c20-14-6-4-13(5-7-14)8-10-22-18(26)17-9-11-23-19(25-17)24-16-3-1-2-15(21)12-16/h1-7,9,11-12H,8,10H2,(H,22,26)(H,23,24,25)
InChIKeyYRFFBMAGSQNKFZ-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-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-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313131
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109313154
2-(2,5-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307967
N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304200
2-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109308543
2-(tert-butylamino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309788
methyl 3-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109308533
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide (CID 109309818) is 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is YRFFBMAGSQNKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-14-6-4-13(5-7-14)8-10-22-18(26)17-9-11-23-19(25-17)24-16-3-1-2-15(21)12-16/h1-7,9,11-12H,8,10H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide?
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109309818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).