1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea

C17H19ClN2O — CID 47081845

IUPAC1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-12-9-10-14(18)11-15(12)19-16(21)20-17(2,3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyZXOYNRMHJLFZLM-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.71
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea

1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea (PubChem CID 47081845) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
PubChem CID47081845
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
SMILESCc1ccc(Cl)cc1NC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-12-9-10-14(18)11-15(12)19-16(21)20-17(2,3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyZXOYNRMHJLFZLM-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N'-(5-chloro-2-methylphenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
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1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea (CID 47081845) is 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea is Cc1ccc(Cl)cc1NC(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea?
The InChIKey is ZXOYNRMHJLFZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-9-10-14(18)11-15(12)19-16(21)20-17(2,3)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea?
1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea has a molecular weight of 302.81 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea is sourced from PubChem (CID 47081845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).