2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109257443

IUPAC2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)cc1Cl
InChIInChI=1S/C19H16Cl2N4O/c1-12-6-7-15(8-17(12)21)25-19-23-10-14(11-24-19)18(26)22-9-13-4-2-3-5-16(13)20/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyINHKHCOTGQXPOZ-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.77
Rot. Bonds5

About 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide

2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109257443) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109257443
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)cc1Cl
InChIInChI=1S/C19H16Cl2N4O/c1-12-6-7-15(8-17(12)21)25-19-23-10-14(11-24-19)18(26)22-9-13-4-2-3-5-16(13)20/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyINHKHCOTGQXPOZ-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-methylanilino)-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-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
CID 109257471
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639
2-(3-chloro-4-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246985
2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256422
2-(3-chloro-4-methylanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268328
2-(3-chloro-4-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304118
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide (CID 109257443) is 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is INHKHCOTGQXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-12-6-7-15(8-17(12)21)25-19-23-10-14(11-24-19)18(26)22-9-13-4-2-3-5-16(13)20/h2-8,10-11H,9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide?
2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).