2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide

C28H30F2N2O — CID 57090261

IUPAC2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
SMILESCCC(C(=O)N[C@H](CN1CCCC1)c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H30F2N2O/c1-2-28(22-10-14-24(29)15-11-22,23-12-16-25(30)17-13-23)27(33)31-26(20-32-18-6-7-19-32)21-8-4-3-5-9-21/h3-5,8-17,26H,2,6-7,18-20H2,1H3,(H,31,33)/t26-/m1/s1
InChIKeyNKWFQARJTAGTMZ-AREMUKBSSA-N
MW448.56 g/mol
LogP5.61
Rot. Bonds8

About 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide

2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 57090261) has the molecular formula C28H30F2N2O and a molecular weight of 448.56 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID57090261
Molecular FormulaC28H30F2N2O
Molecular Weight448.56 g/mol
Exact Mass448.23
IUPAC Name2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
SMILESCCC(C(=O)N[C@H](CN1CCCC1)c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H30F2N2O/c1-2-28(22-10-14-24(29)15-11-22,23-12-16-25(30)17-13-23)27(33)31-26(20-32-18-6-7-19-32)21-8-4-3-5-9-21/h3-5,8-17,26H,2,6-7,18-20H2,1H3,(H,31,33)/t26-/m1/s1
InChIKeyNKWFQARJTAGTMZ-AREMUKBSSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide
CID 57016241
2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 57193315
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
CID 134050112
1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 110892901
2,2-bis(4-chlorophenyl)-N-[(1S)-1-(4-hydroxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide
CID 57060034
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
2-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155953730
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide (CID 57090261) is 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide is CCC(C(=O)N[C@H](CN1CCCC1)c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is NKWFQARJTAGTMZ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30F2N2O/c1-2-28(22-10-14-24(29)15-11-22,23-12-16-25(30)17-13-23)27(33)31-26(20-32-18-6-7-19-32)21-8-4-3-5-9-21/h3-5,8-17,26H,2,6-7,18-20H2,1H3,(H,31,33)/t26-/m1/s1.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide?
2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 448.56 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 57090261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).