1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea

C18H19ClN2O2 — CID 108908454

IUPAC1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
SMILESO=C(N/C=C/c1ccc(Cl)cc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19ClN2O2/c19-17-8-6-15(7-9-17)10-11-20-18(23)21(12-13-22)14-16-4-2-1-3-5-16/h1-11,22H,12-14H2,(H,20,23)/b11-10+
InChIKeyMPZNLIDOYDEXPZ-ZHACJKMWSA-N
MW330.82 g/mol
LogP3.51
Rot. Bonds6

About 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea

1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea (PubChem CID 108908454) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
PubChem CID108908454
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
SMILESO=C(N/C=C/c1ccc(Cl)cc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19ClN2O2/c19-17-8-6-15(7-9-17)10-11-20-18(23)21(12-13-22)14-16-4-2-1-3-5-16/h1-11,22H,12-14H2,(H,20,23)/b11-10+
InChIKeyMPZNLIDOYDEXPZ-ZHACJKMWSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)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-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108906596
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
1-benzyl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7215846
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
(E)-N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 6234874
(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 78854693
N'-benzyl-N-(2,4-dichlorophenyl)-N'-(2-hydroxyethyl)oxamide
CID 108502823

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea (CID 108908454) is 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea is O=C(N/C=C/c1ccc(Cl)cc1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is MPZNLIDOYDEXPZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-17-8-6-15(7-9-17)10-11-20-18(23)21(12-13-22)14-16-4-2-1-3-5-16/h1-11,22H,12-14H2,(H,20,23)/b11-10+.
What are the key properties of 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea?
1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 330.82 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108908454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).