4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide

C23H27FN2O3 — CID 92900636

IUPAC4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C23H27FN2O3/c1-16(2)25-23(28)18-8-10-21(11-9-18)29-15-20-7-4-12-26(20)22(27)14-17-5-3-6-19(24)13-17/h3,5-6,8-11,13,16,20H,4,7,12,14-15H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyJZDRUAYQMZBPFA-FQEVSTJZSA-N
MW398.48 g/mol
LogP3.58
Rot. Bonds7

About 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide

4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 92900636) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID92900636
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C23H27FN2O3/c1-16(2)25-23(28)18-8-10-21(11-9-18)29-15-20-7-4-12-26(20)22(27)14-17-5-3-6-19(24)13-17/h3,5-6,8-11,13,16,20H,4,7,12,14-15H2,1-2H3,(H,25,28)/t20-/m0/s1
InChIKeyJZDRUAYQMZBPFA-FQEVSTJZSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900674
4-[[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 50846553
4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
4-[[(2S)-1-(2-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900710
N-cyclopropyl-4-[[(3R)-1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]methoxy]benzamide
CID 95097828
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987
4-[[(2S)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900623
4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900692
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide (CID 92900636) is 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is JZDRUAYQMZBPFA-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16(2)25-23(28)18-8-10-21(11-9-18)29-15-20-7-4-12-26(20)22(27)14-17-5-3-6-19(24)13-17/h3,5-6,8-11,13,16,20H,4,7,12,14-15H2,1-2H3,(H,25,28)/t20-/m0/s1.
What are the key properties of 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 398.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 92900636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).