2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide

C17H10Cl2F2N4O — CID 109270604

IUPAC2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C17H10Cl2F2N4O/c18-12-3-1-10(5-13(12)19)25-17-22-7-9(8-23-17)16(26)24-11-2-4-14(20)15(21)6-11/h1-8H,(H,24,26)(H,22,23,25)
InChIKeyGXFBUSQMDPFVML-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.06
Rot. Bonds4

About 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide

2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109270604) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
PubChem CID109270604
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC Name2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C17H10Cl2F2N4O/c18-12-3-1-10(5-13(12)19)25-17-22-7-9(8-23-17)16(26)24-11-2-4-14(20)15(21)6-11/h1-8H,(H,24,26)(H,22,23,25)
InChIKeyGXFBUSQMDPFVML-UHFFFAOYSA-N
XLogP5.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.20
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109269145
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methylanilino)pyrimidine-5-carboxamide
CID 109269179
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide (CID 109270604) is 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is GXFBUSQMDPFVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-12-3-1-10(5-13(12)19)25-17-22-7-9(8-23-17)16(26)24-11-2-4-14(20)15(21)6-11/h1-8H,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide?
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 395.20 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).