3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea

C12H17ClN2O3 — CID 108898653

IUPAC3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NCc1cccc(Cl)c1)N(CCO)CCO
InChIInChI=1S/C12H17ClN2O3/c13-11-3-1-2-10(8-11)9-14-12(18)15(4-6-16)5-7-17/h1-3,8,16-17H,4-7,9H2,(H,14,18)
InChIKeyYIESUCCEEVXACW-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.84
Rot. Bonds6

About 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea

3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea (PubChem CID 108898653) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
PubChem CID108898653
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NCc1cccc(Cl)c1)N(CCO)CCO
InChIInChI=1S/C12H17ClN2O3/c13-11-3-1-2-10(8-11)9-14-12(18)15(4-6-16)5-7-17/h1-3,8,16-17H,4-7,9H2,(H,14,18)
InChIKeyYIESUCCEEVXACW-UHFFFAOYSA-N
XLogP0.84
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-chlorophenyl)methyl]-1,1-bis(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-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 110894614
3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424077
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
1-butyl-3-[(3-chlorophenyl)methyl]-1-methylurea
CID 110301221
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110911020
1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]-1-propylurea
CID 110908555
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
CID 111424149
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea (CID 108898653) is 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea is O=C(NCc1cccc(Cl)c1)N(CCO)CCO.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is YIESUCCEEVXACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c13-11-3-1-2-10(8-11)9-14-12(18)15(4-6-16)5-7-17/h1-3,8,16-17H,4-7,9H2,(H,14,18).
What are the key properties of 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea?
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 272.73 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 108898653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).