N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide

C17H11Cl2FN4O — CID 109316487

IUPACN-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C17H11Cl2FN4O/c18-10-7-11(19)9-12(8-10)22-16(25)15-5-6-21-17(24-15)23-14-4-2-1-3-13(14)20/h1-9H,(H,22,25)(H,21,23,24)
InChIKeyUKYSFTBOOLMCFW-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.92
Rot. Bonds4

About N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide

N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109316487) has the molecular formula C17H11Cl2FN4O and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
PubChem CID109316487
Molecular FormulaC17H11Cl2FN4O
Molecular Weight377.21 g/mol
Exact Mass376.03
IUPAC NameN-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccnc(Nc2ccccc2F)n1
InChIInChI=1S/C17H11Cl2FN4O/c18-10-7-11(19)9-12(8-10)22-16(25)15-5-6-21-17(24-15)23-14-4-2-1-3-13(14)20/h1-9H,(H,22,25)(H,21,23,24)
InChIKeyUKYSFTBOOLMCFW-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316502
2-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316500
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109317361
2-(2,4-dichloroanilino)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109318714
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109317368
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
N-(4-chlorophenyl)-2-(2,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109317020
2-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234
2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315235

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide (CID 109316487) is N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccnc(Nc2ccccc2F)n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is UKYSFTBOOLMCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN4O/c18-10-7-11(19)9-12(8-10)22-16(25)15-5-6-21-17(24-15)23-14-4-2-1-3-13(14)20/h1-9H,(H,22,25)(H,21,23,24).
What are the key properties of N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide?
N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).