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

C17H11ClF2N4O — CID 109268814

IUPAC2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(6-11)24-17-21-8-10(9-22-17)16(25)23-13-4-5-14(19)15(20)7-13/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyKAAPQAZEYSYNDR-UHFFFAOYSA-N
MW360.75 g/mol
LogP4.40
Rot. Bonds4

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

2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109268814) has the molecular formula C17H11ClF2N4O and a molecular weight of 360.75 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
PubChem CID109268814
Molecular FormulaC17H11ClF2N4O
Molecular Weight360.75 g/mol
Exact Mass360.06
IUPAC Name2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(6-11)24-17-21-8-10(9-22-17)16(25)23-13-4-5-14(19)15(20)7-13/h1-9H,(H,23,25)(H,21,22,24)
InChIKeyKAAPQAZEYSYNDR-UHFFFAOYSA-N
XLogP4.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
2-(3,4-dichloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270604
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109269177
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide (CID 109268814) is 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is KAAPQAZEYSYNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O/c18-11-2-1-3-12(6-11)24-17-21-8-10(9-22-17)16(25)23-13-4-5-14(19)15(20)7-13/h1-9H,(H,23,25)(H,21,22,24).
What are the key properties of 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide?
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 360.75 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).