1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea

C18H18ClN3O2 — CID 154748467

IUPAC1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1ccccc1)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H18ClN3O2/c19-14-8-4-5-9-16(14)22-11-10-15(17(22)23)21-18(24)20-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H2,20,21,24)
InChIKeyMMQQDPNDBJPNIZ-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.94
Rot. Bonds4

About 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea

1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea (PubChem CID 154748467) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
PubChem CID154748467
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1ccccc1)NC1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C18H18ClN3O2/c19-14-8-4-5-9-16(14)22-11-10-15(17(22)23)21-18(24)20-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H2,20,21,24)
InChIKeyMMQQDPNDBJPNIZ-UHFFFAOYSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea 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-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 56787564
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylpropanamide
CID 56786587
1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71876955
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750894
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-methylbutanamide
CID 120500650
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]benzamide
CID 95781115
(2S)-N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 97000579
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95619997
1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea (CID 154748467) is 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea is O=C(NCc1ccccc1)NC1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea?
The InChIKey is MMQQDPNDBJPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-8-4-5-9-16(14)22-11-10-15(17(22)23)21-18(24)20-12-13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H2,20,21,24).
What are the key properties of 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea?
1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea has a molecular weight of 343.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 154748467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).