N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide

C42H27F12N3O3 — CID 139177364

IUPACN-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F.O=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F.O=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/3C14H9F4NO/c3*15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(16,17)18/h3*1-8H,(H,19,20)
InChIKeyGAWDSPSMOYQKHH-UHFFFAOYSA-N
MW849.67 g/mol
LogP12.29
Rot. Bonds6

About N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide

N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide (PubChem CID 139177364) has the molecular formula C42H27F12N3O3 and a molecular weight of 849.67 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
PubChem CID139177364
Molecular FormulaC42H27F12N3O3
Molecular Weight849.67 g/mol
Exact Mass849.19
IUPAC NameN-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F.O=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F.O=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/3C14H9F4NO/c3*15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(16,17)18/h3*1-8H,(H,19,20)
InChIKeyGAWDSPSMOYQKHH-UHFFFAOYSA-N
XLogP12.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.67
LogP ≤ 512.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-fluorophenyl)-2-(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

N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
N-(3-aminophenyl)-2-(trifluoromethyl)benzamide
CID 16774950
[3-[[2-(trifluoromethyl)benzoyl]amino]phenyl] hydrogen sulfate
CID 71328026
N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-(3-fluorophenyl)-2-(thiophene-2-carbonyl)benzamide
CID 36678143
N-(2-bromo-5-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 103753432
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide (CID 139177364) is N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide is O=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F.O=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F.O=C(Nc1cccc(F)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is GAWDSPSMOYQKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H9F4NO/c3*15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(16,17)18/h3*1-8H,(H,19,20).
What are the key properties of N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide?
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 849.67 g/mol, XLogP of 12.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 139177364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).