N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide

C18H16F2N2O2 — CID 175918450

IUPACN-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1F)c1ccccc1
InChIInChI=1S/C18H16F2N2O2/c19-14-9-5-4-8-13(14)18(24)22-10-15(20)16(11-22)21-17(23)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2,(H,21,23)/t15-,16+/m0/s1
InChIKeyOJTCXUJLJAIBPA-JKSUJKDBSA-N
MW330.33 g/mol
LogP2.42
Rot. Bonds3

About N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide

N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide (PubChem CID 175918450) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide
PubChem CID175918450
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC NameN-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1F)c1ccccc1
InChIInChI=1S/C18H16F2N2O2/c19-14-9-5-4-8-13(14)18(24)22-10-15(20)16(11-22)21-17(23)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2,(H,21,23)/t15-,16+/m0/s1
InChIKeyOJTCXUJLJAIBPA-JKSUJKDBSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R,4S)-4-fluoro-1-(4-fluorobenzoyl)pyrrolidin-3-yl]benzamide
CID 175918447
(3-aminoazetidin-1-yl)-(2-fluorophenyl)methanone
CID 63755092
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(3S)-1-(2-fluorobenzoyl)-N-[(1R,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 93013704
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
1-(2-fluorobenzoyl)azetidine-3-carboxylate
CID 7100057
1-(2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228026
2-chloro-N-[(3R,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-fluoropyrrolidin-3-yl]benzamide
CID 175918432
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 124514443
N-[(3R,4S)-1-(2,2-difluorocyclopropanecarbonyl)-4-fluoropyrrolidin-3-yl]-3-fluoro-2-methylbenzamide
CID 175918449
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide (CID 175918450) is N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H]1F)c1ccccc1.
What is the InChIKey of N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide?
The InChIKey is OJTCXUJLJAIBPA-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c19-14-9-5-4-8-13(14)18(24)22-10-15(20)16(11-22)21-17(23)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2,(H,21,23)/t15-,16+/m0/s1.
What are the key properties of N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide?
N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide has a molecular weight of 330.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-fluoro-1-(2-fluorobenzoyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 175918450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).