2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide

C28H29F3N2O2 — CID 57016241

IUPAC2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide
SMILESCCC(C(=O)N[C@H](CN1CCC(O)C1)c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H29F3N2O2/c1-2-28(20-5-11-23(30)12-6-20,21-7-13-24(31)14-8-21)27(35)32-26(18-33-16-15-25(34)17-33)19-3-9-22(29)10-4-19/h3-14,25-26,34H,2,15-18H2,1H3,(H,32,35)/t25?,26-/m1/s1
InChIKeyIIHRXYRMJNVQTD-FXDYGKIASA-N
MW482.55 g/mol
LogP4.72
Rot. Bonds8

About 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide

2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide (PubChem CID 57016241) has the molecular formula C28H29F3N2O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide
PubChem CID57016241
Molecular FormulaC28H29F3N2O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide
SMILESCCC(C(=O)N[C@H](CN1CCC(O)C1)c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H29F3N2O2/c1-2-28(20-5-11-23(30)12-6-20,21-7-13-24(31)14-8-21)27(35)32-26(18-33-16-15-25(34)17-33)19-3-9-22(29)10-4-19/h3-14,25-26,34H,2,15-18H2,1H3,(H,32,35)/t25?,26-/m1/s1
InChIKeyIIHRXYRMJNVQTD-FXDYGKIASA-N
XLogP4.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-bis(4-chlorophenyl)-N-[(1S)-1-(4-hydroxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide
CID 57060034
2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
CID 57090261
N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]-9-methylxanthene-9-carboxamide
CID 57290515
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride
CID 68537889
(3S)-1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
CID 67673345
2,2-bis(4-fluorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 67673442
(3S)-1-[(2S)-2-(4-aminophenyl)-2-(methylamino)ethyl]pyrrolidin-3-ol
CID 22862233
(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
N-[(1S)-1-(4-aminophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-2,2-bis(4-fluorophenyl)-N-methylacetamide
CID 67674368
N-[1-(4-fluorophenyl)ethyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332568
N-[(1S)-1-(4-fluorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 67674198
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide (CID 57016241) is 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide is CCC(C(=O)N[C@H](CN1CCC(O)C1)c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide?
The InChIKey is IIHRXYRMJNVQTD-FXDYGKIASA-N. The full InChI is InChI=1S/C28H29F3N2O2/c1-2-28(20-5-11-23(30)12-6-20,21-7-13-24(31)14-8-21)27(35)32-26(18-33-16-15-25(34)17-33)19-3-9-22(29)10-4-19/h3-14,25-26,34H,2,15-18H2,1H3,(H,32,35)/t25?,26-/m1/s1.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide?
2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide has a molecular weight of 482.55 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 57016241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).