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

C17H10Cl2F2N4O — CID 109270543

IUPACN-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C17H10Cl2F2N4O/c18-10-1-3-14(12(19)5-10)24-16(26)9-7-22-17(23-8-9)25-15-4-2-11(20)6-13(15)21/h1-8H,(H,24,26)(H,22,23,25)
InChIKeyWDIYKMHHODYHKR-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.06
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109270543) has the molecular formula C17H10Cl2F2N4O and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
PubChem CID109270543
Molecular FormulaC17H10Cl2F2N4O
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC NameN-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cnc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C17H10Cl2F2N4O/c18-10-1-3-14(12(19)5-10)24-16(26)9-7-22-17(23-8-9)25-15-4-2-11(20)6-13(15)21/h1-8H,(H,24,26)(H,22,23,25)
InChIKeyWDIYKMHHODYHKR-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

2-(2-chloroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268688
2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109269252
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042
2-(2,4-difluoroanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109268037
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
2-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269621
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
N-(2,4-dichlorophenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109248027

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide (CID 109270543) is N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cnc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is WDIYKMHHODYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N4O/c18-10-1-3-14(12(19)5-10)24-16(26)9-7-22-17(23-8-9)25-15-4-2-11(20)6-13(15)21/h1-8H,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide?
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)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 N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).