N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide

C17H10ClF3N4O — CID 109317361

IUPACN-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C17H10ClF3N4O/c18-11-8-10(2-3-12(11)20)23-16(26)15-5-6-22-17(25-15)24-14-4-1-9(19)7-13(14)21/h1-8H,(H,23,26)(H,22,24,25)
InChIKeyVZWVKWCNAVZXDP-UHFFFAOYSA-N
MW378.74 g/mol
LogP4.54
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109317361) has the molecular formula C17H10ClF3N4O and a molecular weight of 378.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
PubChem CID109317361
Molecular FormulaC17H10ClF3N4O
Molecular Weight378.74 g/mol
Exact Mass378.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(Nc2ccc(F)cc2F)n1
InChIInChI=1S/C17H10ClF3N4O/c18-11-8-10(2-3-12(11)20)23-16(26)15-5-6-22-17(25-15)24-14-4-1-9(19)7-13(14)21/h1-8H,(H,23,26)(H,22,24,25)
InChIKeyVZWVKWCNAVZXDP-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.74
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
2-(2,4-difluoroanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109318014
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109317020
2-(3-chloro-4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316133
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109317370
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062
2-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109318502
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316487

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide (CID 109317361) is N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is VZWVKWCNAVZXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O/c18-11-8-10(2-3-12(11)20)23-16(26)15-5-6-22-17(25-15)24-14-4-1-9(19)7-13(14)21/h1-8H,(H,23,26)(H,22,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 378.74 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).