1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea

C22H26ClN3O2 — CID 60577236

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESCC(NC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O2/c1-16(19-6-2-3-7-20(19)23)24-22(28)25-18-11-8-17(9-12-18)10-13-21(27)26-14-4-5-15-26/h2-3,6-9,11-12,16H,4-5,10,13-15H2,1H3,(H2,24,25,28)
InChIKeyMZTDCZXJKAPEBB-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.78
Rot. Bonds6

About 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea

1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea (PubChem CID 60577236) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
PubChem CID60577236
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
SMILESCC(NC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O2/c1-16(19-6-2-3-7-20(19)23)24-22(28)25-18-11-8-17(9-12-18)10-13-21(27)26-14-4-5-15-26/h2-3,6-9,11-12,16H,4-5,10,13-15H2,1H3,(H2,24,25,28)
InChIKeyMZTDCZXJKAPEBB-UHFFFAOYSA-N
XLogP4.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]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

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
CID 119303606
1-[(2,4-dichlorophenyl)methyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60576943
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119303616
2-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168609116
methyl (2S)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetate
CID 25471955
1-(3-hydroxypropyl)-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60577432
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119303626
3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
CID 110314357
N-[1-(2-chlorophenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 86914240

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea (CID 60577236) is 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea is CC(NC(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
The InChIKey is MZTDCZXJKAPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16(19-6-2-3-7-20(19)23)24-22(28)25-18-11-8-17(9-12-18)10-13-21(27)26-14-4-5-15-26/h2-3,6-9,11-12,16H,4-5,10,13-15H2,1H3,(H2,24,25,28).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea?
1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea has a molecular weight of 399.92 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea is sourced from PubChem (CID 60577236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).