2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide

C17H11Cl3N4O — CID 109268911

IUPAC2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H11Cl3N4O/c18-11-1-4-13(5-2-11)23-17-21-8-10(9-22-17)16(25)24-15-6-3-12(19)7-14(15)20/h1-9H,(H,24,25)(H,21,22,23)
InChIKeySSELWYZNYLXBQG-UHFFFAOYSA-N
MW393.66 g/mol
LogP5.43
Rot. Bonds4

About 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide

2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268911) has the molecular formula C17H11Cl3N4O and a molecular weight of 393.66 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
PubChem CID109268911
Molecular FormulaC17H11Cl3N4O
Molecular Weight393.66 g/mol
Exact Mass392.00
IUPAC Name2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C17H11Cl3N4O/c18-11-1-4-13(5-2-11)23-17-21-8-10(9-22-17)16(25)24-15-6-3-12(19)7-14(15)20/h1-9H,(H,24,25)(H,21,22,23)
InChIKeySSELWYZNYLXBQG-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

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Related Compounds

2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
N-(4-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-5-carboxamide
CID 109269094
N-(2,4-dichlorophenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109248027
N-(2,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780189
2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109269252

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide (CID 109268911) is 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cnc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is SSELWYZNYLXBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O/c18-11-1-4-13(5-2-11)23-17-21-8-10(9-22-17)16(25)24-15-6-3-12(19)7-14(15)20/h1-9H,(H,24,25)(H,21,22,23).
What are the key properties of 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide?
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-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 2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).