1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea

C16H17ClN2O — CID 47103423

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O/c1-11-5-3-8-15(9-11)19-16(20)18-12(2)13-6-4-7-14(17)10-13/h3-10,12H,1-2H3,(H2,18,19,20)
InChIKeyCIASCNPCCLNNQA-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.53
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea

1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea (PubChem CID 47103423) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
PubChem CID47103423
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O/c1-11-5-3-8-15(9-11)19-16(20)18-12(2)13-6-4-7-14(17)10-13/h3-10,12H,1-2H3,(H2,18,19,20)
InChIKeyCIASCNPCCLNNQA-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)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-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
CID 60736658
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 27869054
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 51944133
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 51944325
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methylphenyl)urea
CID 45153916
1-[1-(3-chlorophenyl)ethyl]-3-[4-(difluoromethylsulfonyl)phenyl]urea
CID 47032730
1-(3-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 17182100
3-[[(1S)-1-(3-chlorophenyl)ethyl]carbamoylamino]-N-pyridin-2-ylbenzamide
CID 95144985
1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 27474756
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea (CID 47103423) is 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NC(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is CIASCNPCCLNNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-5-3-8-15(9-11)19-16(20)18-12(2)13-6-4-7-14(17)10-13/h3-10,12H,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea?
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea has a molecular weight of 288.78 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 47103423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).