[(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate

C20H22ClFN2O2 — CID 121425475

IUPAC[(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
SMILESCCN1CC[C@@H](COC(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C20H22ClFN2O2/c1-2-24-10-9-14(12-24)13-26-20(25)23-19-6-4-3-5-16(19)15-7-8-18(22)17(21)11-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyCLCWQIRRUIBZQH-CQSZACIVSA-N
MW376.86 g/mol
LogP5.04
Rot. Bonds5

About [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate

[(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate (PubChem CID 121425475) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Name[(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
PubChem CID121425475
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name[(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
SMILESCCN1CC[C@@H](COC(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C20H22ClFN2O2/c1-2-24-10-9-14(12-24)13-26-20(25)23-19-6-4-3-5-16(19)15-7-8-18(22)17(21)11-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyCLCWQIRRUIBZQH-CQSZACIVSA-N
XLogP5.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.86
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-propan-2-ylpyrrolidin-3-yl)methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
CID 144785480
(2R)-2-tert-butyl-3-[[2-(3-chloro-4-fluorophenyl)phenyl]carbamoyloxymethyl]pyrrolidine-1-carboxylic acid
CID 121411301
ethyl 2-[(2S)-2-[[2-(3-chloro-4-fluorophenyl)phenyl]carbamoyloxymethyl]-1-methylpyrrolidin-1-ium-1-yl]acetate bromide
CID 170649843
2-[[4-[[2-(3-chloro-4-fluorophenyl)-3-fluorophenyl]carbamoyloxymethyl]cyclohexyl]methoxy]acetic acid
CID 140562491
[(3R)-1-methylpyrrolidin-3-yl]methyl N-(2-bromophenyl)carbamate
CID 121425420
tert-butyl 4-[[2-(4-chlorophenyl)-4-fluorophenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710937
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-fluorophenyl)acetamide
CID 60856711
tert-butyl 4-[[2-(2-chlorophenyl)-4-fluorophenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710678
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]methyl N-[2-(4-phenylphenyl)phenyl]carbamate
CID 69311024
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
CID 121425501
[2-(3-chloro-4-fluorophenyl)phenyl]-[[(3S)-1-methylpyrrolidin-3-yl]methyl]carbamic acid
CID 121411246
acetic acid;9H-fluoren-9-ylmethyl N-(2-phenylphenyl)carbamate
CID 66925363

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate?
The IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate (CID 121425475) is [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate.
What is the SMILES notation for [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate?
The canonical SMILES for [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate is CCN1CC[C@@H](COC(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate?
The InChIKey is CLCWQIRRUIBZQH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c1-2-24-10-9-14(12-24)13-26-20(25)23-19-6-4-3-5-16(19)15-7-8-18(22)17(21)11-15/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate?
[(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate has a molecular weight of 376.86 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate is sourced from PubChem (CID 121425475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).