2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide

C17H11F3N4O — CID 109265275

IUPAC2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C17H11F3N4O/c18-12-6-7-13(15(20)14(12)19)24-16(25)10-8-21-17(22-9-10)23-11-4-2-1-3-5-11/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyBQMCSLSMVXICQQ-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.89
Rot. Bonds4

About 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide

2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109265275) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
PubChem CID109265275
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C17H11F3N4O/c18-12-6-7-13(15(20)14(12)19)24-16(25)10-8-21-17(22-9-10)23-11-4-2-1-3-5-11/h1-9H,(H,24,25)(H,21,22,23)
InChIKeyBQMCSLSMVXICQQ-UHFFFAOYSA-N
XLogP3.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265472
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
2-(pyridin-4-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109259377
2-(3-methylbutylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109263625
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
2-(4-cyanoanilino)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109268383
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide (CID 109265275) is 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is BQMCSLSMVXICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-12-6-7-13(15(20)14(12)19)24-16(25)10-8-21-17(22-9-10)23-11-4-2-1-3-5-11/h1-9H,(H,24,25)(H,21,22,23).
What are the key properties of 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide?
2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).