4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide

C18H25FN2O2 — CID 110128189

IUPAC4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2/c19-14-9-7-13(8-10-14)18(23)20-15-5-1-2-6-16(17(15)22)21-11-3-4-12-21/h7-10,15-17,22H,1-6,11-12H2,(H,20,23)/t15-,16-,17-/m1/s1
InChIKeyFVZZIGZXFFAZPM-BRWVUGGUSA-N
MW320.41 g/mol
LogP2.32
Rot. Bonds3

About 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide

4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide (PubChem CID 110128189) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
PubChem CID110128189
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2/c19-14-9-7-13(8-10-14)18(23)20-15-5-1-2-6-16(17(15)22)21-11-3-4-12-21/h7-10,15-17,22H,1-6,11-12H2,(H,20,23)/t15-,16-,17-/m1/s1
InChIKeyFVZZIGZXFFAZPM-BRWVUGGUSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[(4-fluorobenzoyl)amino]cyclohexyl]benzamide
CID 2912791
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(methoxymethyl)benzamide
CID 110127912
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
CID 110128202
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methylsulfanylbenzamide
CID 78876366
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-fluorobenzamide
CID 47036307
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-fluoro-3-sulfanylbenzamide
CID 107025814
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide
CID 110128241
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110154641
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(4-fluorophenyl)but-2-enamide
CID 71884165

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide (CID 110128189) is 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide is O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide?
The InChIKey is FVZZIGZXFFAZPM-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-14-9-7-13(8-10-14)18(23)20-15-5-1-2-6-16(17(15)22)21-11-3-4-12-21/h7-10,15-17,22H,1-6,11-12H2,(H,20,23)/t15-,16-,17-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide?
4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide has a molecular weight of 320.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide is sourced from PubChem (CID 110128189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).