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

C23H27FN2O3 — CID 92900674

IUPAC4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N2CCC[C@H]2COc2ccc(C(=O)NC(C)C)cc2)cc1F
InChIInChI=1S/C23H27FN2O3/c1-15(2)25-22(27)17-8-10-20(11-9-17)29-14-19-5-4-12-26(19)23(28)18-7-6-16(3)21(24)13-18/h6-11,13,15,19H,4-5,12,14H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyOPCNJFOLDILDRY-IBGZPJMESA-N
MW398.48 g/mol
LogP3.96
Rot. Bonds6

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

4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 92900674) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID92900674
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N2CCC[C@H]2COc2ccc(C(=O)NC(C)C)cc2)cc1F
InChIInChI=1S/C23H27FN2O3/c1-15(2)25-22(27)17-8-10-20(11-9-17)29-14-19-5-4-12-26(19)23(28)18-7-6-16(3)21(24)13-18/h6-11,13,15,19H,4-5,12,14H2,1-3H3,(H,25,27)/t19-/m0/s1
InChIKeyOPCNJFOLDILDRY-IBGZPJMESA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 92900504
4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987
4-[[(2S)-1-(2-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900710
4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900692
N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
4-[[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 163339849
4-[[(2S)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900623

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide (CID 92900674) is 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N2CCC[C@H]2COc2ccc(C(=O)NC(C)C)cc2)cc1F.
What is the InChIKey of 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is OPCNJFOLDILDRY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-15(2)25-22(27)17-8-10-20(11-9-17)29-14-19-5-4-12-26(19)23(28)18-7-6-16(3)21(24)13-18/h6-11,13,15,19H,4-5,12,14H2,1-3H3,(H,25,27)/t19-/m0/s1.
What are the key properties of 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 398.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 92900674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).