N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide

C18H16F4N2O — CID 113092377

IUPACN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O/c19-14-7-8-16(24-9-1-2-10-24)15(11-14)23-17(25)12-3-5-13(6-4-12)18(20,21)22/h3-8,11H,1-2,9-10H2,(H,23,25)
InChIKeyHNXWQYSNPVIXEU-UHFFFAOYSA-N
MW352.33 g/mol
LogP4.70
Rot. Bonds3

About N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide

N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 113092377) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID113092377
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC NameN-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(F)ccc1N1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F4N2O/c19-14-7-8-16(24-9-1-2-10-24)15(11-14)23-17(25)12-3-5-13(6-4-12)18(20,21)22/h3-8,11H,1-2,9-10H2,(H,23,25)
InChIKeyHNXWQYSNPVIXEU-UHFFFAOYSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-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

4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
N-(5-fluoro-2-piperidin-1-ylphenyl)benzamide
CID 113092590
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421990
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide (CID 113092377) is N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide is O=C(Nc1cc(F)ccc1N1CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is HNXWQYSNPVIXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O/c19-14-7-8-16(24-9-1-2-10-24)15(11-14)23-17(25)12-3-5-13(6-4-12)18(20,21)22/h3-8,11H,1-2,9-10H2,(H,23,25).
What are the key properties of N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide?
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 352.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113092377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).