4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide

C24H25F3N4O3 — CID 58651083

IUPAC4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)22(33)29-20-11-13-31(15-20)23(34)30-12-10-19(14-30)28-21(32)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-20H,10-15H2,(H,28,32)(H,29,33)/t19-,20?/m0/s1
InChIKeyIHNYRBUOGHUOPZ-XJDOXCRVSA-N
MW474.48 g/mol
LogP3.03
Rot. Bonds4

About 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide

4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide (PubChem CID 58651083) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
PubChem CID58651083
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)22(33)29-20-11-13-31(15-20)23(34)30-12-10-19(14-30)28-21(32)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-20H,10-15H2,(H,28,32)(H,29,33)/t19-,20?/m0/s1
InChIKeyIHNYRBUOGHUOPZ-XJDOXCRVSA-N
XLogP3.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
2,2,2-trifluoro-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651055
(3S)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 87679206
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
N-[(3R)-1-tert-butylpyrrolidin-3-yl]benzamide
CID 155637447
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
CID 108549480
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide (CID 58651083) is 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCN(C(=O)N2CCC(NC(=O)C(F)(F)F)C2)C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide?
The InChIKey is IHNYRBUOGHUOPZ-XJDOXCRVSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c25-24(26,27)22(33)29-20-11-13-31(15-20)23(34)30-12-10-19(14-30)28-21(32)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-20H,10-15H2,(H,28,32)(H,29,33)/t19-,20?/m0/s1.
What are the key properties of 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide?
4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide has a molecular weight of 474.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(3S)-1-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 58651083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).