3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide

C20H23FN2O — CID 110403888

IUPAC3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCC(Cc1ccccc1)N1CCCC1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O/c21-18-10-6-9-17(14-18)20(24)22-15-19(23-11-4-5-12-23)13-16-7-2-1-3-8-16/h1-3,6-10,14,19H,4-5,11-13,15H2,(H,22,24)
InChIKeyMWEPSHREJLMXPQ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.26
Rot. Bonds6

About 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide

3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 110403888) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID110403888
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCC(Cc1ccccc1)N1CCCC1)c1cccc(F)c1
InChIInChI=1S/C20H23FN2O/c21-18-10-6-9-17(14-18)20(24)22-15-19(23-11-4-5-12-23)13-16-7-2-1-3-8-16/h1-3,6-10,14,19H,4-5,11-13,15H2,(H,22,24)
InChIKeyMWEPSHREJLMXPQ-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404024
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluorobenzamide
CID 112506853
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039440
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 97039441
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404026
2-fluoro-N-[3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71784593

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide (CID 110403888) is 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide is O=C(NCC(Cc1ccccc1)N1CCCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is MWEPSHREJLMXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-18-10-6-9-17(14-18)20(24)22-15-19(23-11-4-5-12-23)13-16-7-2-1-3-8-16/h1-3,6-10,14,19H,4-5,11-13,15H2,(H,22,24).
What are the key properties of 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 326.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 110403888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).