(4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate

C20H21ClN2O4 — CID 171824418

IUPAC(4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate
SMILESO=C(Nc1ccc(CC(=O)N2CCC(O)C2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c21-16-5-1-15(2-6-16)13-27-20(26)22-17-7-3-14(4-8-17)11-19(25)23-10-9-18(24)12-23/h1-8,18,24H,9-13H2,(H,22,26)
InChIKeyCATWHCSUMHMNIT-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.22
Rot. Bonds5

About (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate

(4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate (PubChem CID 171824418) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate
PubChem CID171824418
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name(4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate
SMILESO=C(Nc1ccc(CC(=O)N2CCC(O)C2)cc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4/c21-16-5-1-15(2-6-16)13-27-20(26)22-17-7-3-14(4-8-17)11-19(25)23-10-9-18(24)12-23/h1-8,18,24H,9-13H2,(H,22,26)
InChIKeyCATWHCSUMHMNIT-UHFFFAOYSA-N
XLogP3.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]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

(4-chlorophenyl)methyl N-[4-[2-(4-fluoropiperidin-1-yl)-2-oxoethyl]phenyl]carbamate
CID 171824820
(4-chlorophenyl)methyl N-[4-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]phenyl]carbamate
CID 171824587
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
(4-chlorophenyl)methyl N-[4-(2-oxoethyl)phenyl]carbamate
CID 171824056
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
1-(3-hydroxypyrrolidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 62916916
2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 170160022
1-[4-(aminooxymethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 39382607
1-ethyl-3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]phenyl]urea
CID 121061896

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate (CID 171824418) is (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate is O=C(Nc1ccc(CC(=O)N2CCC(O)C2)cc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate?
The InChIKey is CATWHCSUMHMNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-16-5-1-15(2-6-16)13-27-20(26)22-17-7-3-14(4-8-17)11-19(25)23-10-9-18(24)12-23/h1-8,18,24H,9-13H2,(H,22,26).
What are the key properties of (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate?
(4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate has a molecular weight of 388.85 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl N-[4-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 171824418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).