4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

C20H21FN2O3 — CID 51325119

IUPAC4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN2O3/c1-26-17-5-2-4-15(12-17)18-6-3-11-23(18)19(24)13-22-20(25)14-7-9-16(21)10-8-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)
InChIKeyBTASZUSSYLZMIF-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.93
Rot. Bonds5

About 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 51325119) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
PubChem CID51325119
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(C2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H21FN2O3/c1-26-17-5-2-4-15(12-17)18-6-3-11-23(18)19(24)13-22-20(25)14-7-9-16(21)10-8-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25)
InChIKeyBTASZUSSYLZMIF-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea
CID 46699945
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51318560
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
3,5-dimethoxy-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264676
3,5-dimethoxy-N-[2-oxo-2-[(2S)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264677
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
4-(difluoromethoxy)-N-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 25479486
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79285595
N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 31060671

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 51325119) is 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is COc1cccc(C2CCCN2C(=O)CNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is BTASZUSSYLZMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-26-17-5-2-4-15(12-17)18-6-3-11-23(18)19(24)13-22-20(25)14-7-9-16(21)10-8-14/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,22,25).
What are the key properties of 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 356.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 51325119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).