1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea

C16H20ClN3O3 — CID 167837329

IUPAC1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1cccc(Cl)c1O)NC1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C16H20ClN3O3/c17-13-3-1-2-11(15(13)22)7-18-16(23)19-12-6-14(21)20(9-12)8-10-4-5-10/h1-3,10,12,22H,4-9H2,(H2,18,19,23)
InChIKeyGNNOZNVWVNXSKG-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.86
Rot. Bonds5

About 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea

1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 167837329) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID167837329
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NCc1cccc(Cl)c1O)NC1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C16H20ClN3O3/c17-13-3-1-2-11(15(13)22)7-18-16(23)19-12-6-14(21)20(9-12)8-10-4-5-10/h1-3,10,12,22H,4-9H2,(H2,18,19,23)
InChIKeyGNNOZNVWVNXSKG-UHFFFAOYSA-N
XLogP1.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-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-[(2-chlorophenyl)methyl]-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 16819874
1-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215500
1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[(S)-cyclobutyl(cyclopropyl)methyl]urea
CID 164642129
1-[(3-chloro-2-hydroxyphenyl)methyl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 138010435
2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
CID 125442731
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methoxyphenyl)methyl]urea
CID 7548992
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 61497970
2-chloro-6-[[(4-hydroxycyclohexyl)methylamino]methyl]phenol
CID 114146992

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea (CID 167837329) is 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea is O=C(NCc1cccc(Cl)c1O)NC1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is GNNOZNVWVNXSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-13-3-1-2-11(15(13)22)7-18-16(23)19-12-6-14(21)20(9-12)8-10-4-5-10/h1-3,10,12,22H,4-9H2,(H2,18,19,23).
What are the key properties of 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea?
1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 337.81 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-hydroxyphenyl)methyl]-3-[1-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 167837329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).