3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea

C17H19ClN2O — CID 108901403

IUPAC3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-10,13H,2,11-12H2,1H3,(H,19,21)
InChIKeyWOAJRGKPPFEBGM-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.12
Rot. Bonds5

About 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea

3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea (PubChem CID 108901403) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
PubChem CID108901403
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NCCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-10,13H,2,11-12H2,1H3,(H,19,21)
InChIKeyWOAJRGKPPFEBGM-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea 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-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901655
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049117
N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108966948
3-[2-(3-chlorophenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108901489
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-benzyl-N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-2,2-dimethylpropanediamide
CID 108963251
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea?
The IUPAC name of 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea (CID 108901403) is 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea is CCN(C(=O)NCCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea?
The InChIKey is WOAJRGKPPFEBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-20(16-9-4-3-5-10-16)17(21)19-12-11-14-7-6-8-15(18)13-14/h3-10,13H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea?
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea has a molecular weight of 302.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea is sourced from PubChem (CID 108901403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).