3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide

C18H17FN2O3 — CID 100671757

IUPAC3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O3/c19-14-6-4-11(5-7-14)16-9-15(22)10-21(16)18(24)13-3-1-2-12(8-13)17(20)23/h1-8,15-16,22H,9-10H2,(H2,20,23)/t15-,16-/m0/s1
InChIKeyLLGNOBDHBNUVPB-HOTGVXAUSA-N
MW328.34 g/mol
LogP1.87
Rot. Bonds3

About 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide

3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide (PubChem CID 100671757) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide
PubChem CID100671757
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O3/c19-14-6-4-11(5-7-14)16-9-15(22)10-21(16)18(24)13-3-1-2-12(8-13)17(20)23/h1-8,15-16,22H,9-10H2,(H2,20,23)/t15-,16-/m0/s1
InChIKeyLLGNOBDHBNUVPB-HOTGVXAUSA-N
XLogP1.87
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide
CID 129352211
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[3-(hydroxymethyl)phenyl]methanone
CID 100652807
2-[3-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 129352148
[3-fluoro-4-(hydroxymethyl)phenyl]-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352119
(3-fluoro-4-methoxyphenyl)-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352486
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 97332521
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 100671019
2H-benzotriazol-5-yl-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100720804
(3-fluorophenyl)-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 125141501
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100671425
(5-ethyl-1H-pyrazol-3-yl)-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129346225
5-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 128964172

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide?
The IUPAC name of 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide (CID 100671757) is 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide.
What is the SMILES notation for 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide?
The canonical SMILES for 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide is NC(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide?
The InChIKey is LLGNOBDHBNUVPB-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-6-4-11(5-7-14)16-9-15(22)10-21(16)18(24)13-3-1-2-12(8-13)17(20)23/h1-8,15-16,22H,9-10H2,(H2,20,23)/t15-,16-/m0/s1.
What are the key properties of 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide?
3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide has a molecular weight of 328.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]benzamide is sourced from PubChem (CID 100671757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).