1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea

C17H19ClN2O — CID 108990499

IUPAC1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
SMILESCc1cc(Cl)ccc1NC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-12-15(18)9-10-16(13)20-17(21)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,19,20,21)
InChIKeyZPJKIYYVXKXCCI-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds5

About 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea

1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea (PubChem CID 108990499) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
PubChem CID108990499
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
SMILESCc1cc(Cl)ccc1NC(=O)NCCCc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13-12-15(18)9-10-16(13)20-17(21)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,19,20,21)
InChIKeyZPJKIYYVXKXCCI-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542
1-(4-iodo-2-methylphenyl)-3-(2-phenylethyl)urea
CID 47186088
N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287092
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
1-(4-chloro-2-methylphenyl)-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973357
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965816
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea (CID 108990499) is 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea is Cc1cc(Cl)ccc1NC(=O)NCCCc1ccccc1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea?
The InChIKey is ZPJKIYYVXKXCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-12-15(18)9-10-16(13)20-17(21)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea?
1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea has a molecular weight of 302.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108990499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).