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

C17H11Cl3N4O — CID 109317020

IUPACN-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccnc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H11Cl3N4O/c18-10-1-4-12(5-2-10)22-16(25)15-7-8-21-17(24-15)23-14-6-3-11(19)9-13(14)20/h1-9H,(H,22,25)(H,21,23,24)
InChIKeyXNJGCHDVQVISTL-UHFFFAOYSA-N
MW393.66 g/mol
LogP5.43
Rot. Bonds4

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

N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide (PubChem CID 109317020) has the molecular formula C17H11Cl3N4O and a molecular weight of 393.66 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
PubChem CID109317020
Molecular FormulaC17H11Cl3N4O
Molecular Weight393.66 g/mol
Exact Mass392.00
IUPAC NameN-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccnc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H11Cl3N4O/c18-10-1-4-12(5-2-10)22-16(25)15-7-8-21-17(24-15)23-14-6-3-11(19)9-13(14)20/h1-9H,(H,22,25)(H,21,23,24)
InChIKeyXNJGCHDVQVISTL-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-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234
2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318714
2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315235
2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109316980
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109317361
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
2-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317120
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
N-(4-tert-butylphenyl)-2-(2-chloroanilino)pyrimidine-4-carboxamide
CID 109316409
N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316487
2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109316733
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide (CID 109317020) is N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccnc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide?
The InChIKey is XNJGCHDVQVISTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N4O/c18-10-1-4-12(5-2-10)22-16(25)15-7-8-21-17(24-15)23-14-6-3-11(19)9-13(14)20/h1-9H,(H,22,25)(H,21,23,24).
What are the key properties of N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide?
N-(4-chlorophenyl)-2-(2,4-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-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).