N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide

C17H11Cl3N4O — CID 109316799

IUPACN-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H11Cl3N4O/c18-11-6-5-10(9-13(11)20)22-17-21-8-7-15(24-17)16(25)23-14-4-2-1-3-12(14)19/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyGFYWPVGAYKANPL-UHFFFAOYSA-N
MW393.66 g/mol
LogP5.43
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide

N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide (PubChem CID 109316799) has the molecular formula C17H11Cl3N4O and a molecular weight of 393.66 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
PubChem CID109316799
Molecular FormulaC17H11Cl3N4O
Molecular Weight393.66 g/mol
Exact Mass392.00
IUPAC NameN-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H11Cl3N4O/c18-11-6-5-10(9-13(11)20)22-17-21-8-7-15(24-17)16(25)23-14-4-2-1-3-12(14)19/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyGFYWPVGAYKANPL-UHFFFAOYSA-N
XLogP5.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-2-(3,4-dichloroanilino)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

N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109316794
methyl 3-[[4-[(2-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109316787
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
N-(2-chlorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316775
2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316502
2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109317339
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313884
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide (CID 109316799) is N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide is O=C(Nc1ccccc1Cl)c1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide?
The InChIKey is GFYWPVGAYKANPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O/c18-11-6-5-10(9-13(11)20)22-17-21-8-7-15(24-17)16(25)23-14-4-2-1-3-12(14)19/h1-9H,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide?
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide has a molecular weight of 393.66 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).