2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide

C17H12Cl2N4O — CID 109268705

IUPAC2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H12Cl2N4O/c18-12-3-1-5-14(7-12)22-16(24)11-9-20-17(21-10-11)23-15-6-2-4-13(19)8-15/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyMHRCYHLEYNGSME-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.78
Rot. Bonds4

About 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide

2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268705) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
PubChem CID109268705
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H12Cl2N4O/c18-12-3-1-5-14(7-12)22-16(24)11-9-20-17(21-10-11)23-15-6-2-4-13(19)8-15/h1-10H,(H,22,24)(H,20,21,23)
InChIKeyMHRCYHLEYNGSME-UHFFFAOYSA-N
XLogP4.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268738
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide (CID 109268705) is 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is MHRCYHLEYNGSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-12-3-1-5-14(7-12)22-16(24)11-9-20-17(21-10-11)23-15-6-2-4-13(19)8-15/h1-10H,(H,22,24)(H,20,21,23).
What are the key properties of 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide?
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).