2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide

C12H9F3N2O — CID 175946440

IUPAC2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(F)(F)F)cc1-c1cc[nH]c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-1-2-9(11(16)18)10(5-8)7-3-4-17-6-7/h1-6,17H,(H2,16,18)
InChIKeyXZIBMLUBBDWKOX-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.80
Rot. Bonds2

About 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide

2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 175946440) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID175946440
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C(F)(F)F)cc1-c1cc[nH]c1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)8-1-2-9(11(16)18)10(5-8)7-3-4-17-6-7/h1-6,17H,(H2,16,18)
InChIKeyXZIBMLUBBDWKOX-UHFFFAOYSA-N
XLogP2.80
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
[2-fluoro-4-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanone
CID 155664495
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
1-[3-(1H-pyrrol-3-yl)-5-(trifluoromethyl)phenyl]ethanone
CID 141284178
2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 154291859
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide (CID 175946440) is 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide is NC(=O)c1ccc(C(F)(F)F)cc1-c1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is XZIBMLUBBDWKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)8-1-2-9(11(16)18)10(5-8)7-3-4-17-6-7/h1-6,17H,(H2,16,18).
What are the key properties of 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide?
2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 254.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 175946440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).