1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea

C20H24ClN3O2 — CID 86831390

IUPAC1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-23(15-17-2-6-18(21)7-3-17)20(25)22-14-16-4-8-19(9-5-16)24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyQHXINEMCFZECNM-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.52
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea

1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea (PubChem CID 86831390) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
PubChem CID86831390
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-23(15-17-2-6-18(21)7-3-17)20(25)22-14-16-4-8-19(9-5-16)24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyQHXINEMCFZECNM-UHFFFAOYSA-N
XLogP3.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]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

3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312063
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
tert-butyl N-[[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate
CID 24516703
3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 46649991
1-[(3,4-difluorophenyl)methyl]-1-methyl-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 55589673
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 55793803

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea (CID 86831390) is 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea is CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is QHXINEMCFZECNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-23(15-17-2-6-18(21)7-3-17)20(25)22-14-16-4-8-19(9-5-16)24-10-12-26-13-11-24/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea?
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea has a molecular weight of 373.88 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 86831390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).