2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide

C21H23FN2O4 — CID 119136071

IUPAC2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CC(c3ccc(F)cc3)CC2C)ccc1OCC(N)=O
InChIInChI=1S/C21H23FN2O4/c1-13-9-16(14-3-6-17(22)7-4-14)11-24(13)21(26)15-5-8-18(19(10-15)27-2)28-12-20(23)25/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,23,25)
InChIKeyRLGWJXNAVIQNLV-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.72
Rot. Bonds6

About 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide

2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide (PubChem CID 119136071) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide
PubChem CID119136071
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C(=O)N2CC(c3ccc(F)cc3)CC2C)ccc1OCC(N)=O
InChIInChI=1S/C21H23FN2O4/c1-13-9-16(14-3-6-17(22)7-4-14)11-24(13)21(26)15-5-8-18(19(10-15)27-2)28-12-20(23)25/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,23,25)
InChIKeyRLGWJXNAVIQNLV-UHFFFAOYSA-N
XLogP2.72
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
CID 124693508
(3S,4S)-1-[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951847
2-[2-methoxy-4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
CID 71889428
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120730640
2-[4-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methoxyphenoxy]acetamide
CID 94809319
2-amino-1-[(2R,4S)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]ethanone
CID 124693574
(3-fluoro-4-methoxyphenyl)-[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 129352486
2-[4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-2-methoxyphenoxy]acetamide
CID 32771644
methyl (2S)-4-[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]thiomorpholine-2-carboxylate
CID 9084216
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide (CID 119136071) is 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide is COc1cc(C(=O)N2CC(c3ccc(F)cc3)CC2C)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide?
The InChIKey is RLGWJXNAVIQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-13-9-16(14-3-6-17(22)7-4-14)11-24(13)21(26)15-5-8-18(19(10-15)27-2)28-12-20(23)25/h3-8,10,13,16H,9,11-12H2,1-2H3,(H2,23,25).
What are the key properties of 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide?
2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide has a molecular weight of 386.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-2-methylpyrrolidine-1-carbonyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 119136071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).