6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

C17H11ClF2N4O — CID 109358177

IUPAC6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C17H11ClF2N4O/c18-10-2-1-3-11(6-10)23-16-8-15(21-9-22-16)17(25)24-12-4-5-13(19)14(20)7-12/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyPMOJZFCRCMLTCG-UHFFFAOYSA-N
MW360.75 g/mol
LogP4.40
Rot. Bonds4

About 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109358177) has the molecular formula C17H11ClF2N4O and a molecular weight of 360.75 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109358177
Molecular FormulaC17H11ClF2N4O
Molecular Weight360.75 g/mol
Exact Mass360.06
IUPAC Name6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C17H11ClF2N4O/c18-10-2-1-3-11(6-10)23-16-8-15(21-9-22-16)17(25)24-12-4-5-13(19)14(20)7-12/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyPMOJZFCRCMLTCG-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

N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(3,4-difluorophenyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109356120
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
6-(3,4-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359680
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
6-(3,4-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109356045
6-(2,5-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359682
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359090
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
6-(3-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109357289

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109358177) is 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(Nc2cccc(Cl)c2)ncn1.
What is the InChIKey of 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is PMOJZFCRCMLTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O/c18-10-2-1-3-11(6-10)23-16-8-15(21-9-22-16)17(25)24-12-4-5-13(19)14(20)7-12/h1-9H,(H,24,25)(H,21,22,23).
What are the key properties of 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-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 6-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).