1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea

C17H19ClN2O — CID 60595877

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-13-6-2-3-8-15(13)12-20-17(21)19-11-10-14-7-4-5-9-16(14)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyRPSHTQDHDZAUGR-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.69
Rot. Bonds5

About 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea

1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 60595877) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID60595877
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-13-6-2-3-8-15(13)12-20-17(21)19-11-10-14-7-4-5-9-16(14)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyRPSHTQDHDZAUGR-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
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CID 47448428
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
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1-[2-(2-chlorophenyl)ethyl]-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878554
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-(3,3-dimethylbutyl)-3-[(2-methylphenyl)methyl]urea
CID 55683695
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
4-[(2-methylphenyl)methylcarbamoylamino]butanoic acid
CID 28511327

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea (CID 60595877) is 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)NCCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is RPSHTQDHDZAUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-6-2-3-8-15(13)12-20-17(21)19-11-10-14-7-4-5-9-16(14)18/h2-9H,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea?
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 302.81 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 60595877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).