N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide

C25H21F3N2O2 — CID 166031099

IUPACN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H21F3N2O2/c26-25(27,28)22-12-5-4-9-20(22)15-30-16-21(14-23(30)31)29-24(32)19-11-6-10-18(13-19)17-7-2-1-3-8-17/h1-13,21H,14-16H2,(H,29,32)
InChIKeyGTWWUNQYTJHWCH-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.90
Rot. Bonds5

About N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide

N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide (PubChem CID 166031099) has the molecular formula C25H21F3N2O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide
PubChem CID166031099
Molecular FormulaC25H21F3N2O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC NameN-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide
SMILESO=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C25H21F3N2O2/c26-25(27,28)22-12-5-4-9-20(22)15-30-16-21(14-23(30)31)29-24(32)19-11-6-10-18(13-19)17-7-2-1-3-8-17/h1-13,21H,14-16H2,(H,29,32)
InChIKeyGTWWUNQYTJHWCH-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
Nms-P118
CID 49843531
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
Teijin-lead_cmp_5
CID 44353447
CID 66561557
CID 66561557
N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide
CID 129047819
3-[[3-(dimethylamino)propyl-methylamino]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide
CID 11535362
3-acetyl-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide
CID 11753447
N-ethyl-4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25216680

Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide?
The IUPAC name of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide (CID 166031099) is N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide.
What is the SMILES notation for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide?
The canonical SMILES for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide is O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide?
The InChIKey is GTWWUNQYTJHWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O2/c26-25(27,28)22-12-5-4-9-20(22)15-30-16-21(14-23(30)31)29-24(32)19-11-6-10-18(13-19)17-7-2-1-3-8-17/h1-13,21H,14-16H2,(H,29,32).
What are the key properties of N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide?
N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide has a molecular weight of 438.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylbenzamide is sourced from PubChem (CID 166031099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).