1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea

C18H21ClN2O — CID 113216277

IUPAC1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
SMILESCC(C)(NC(=O)NCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-18(2,15-8-10-16(19)11-9-15)21-17(22)20-13-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyVZZKRMWXQNVESW-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea

1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea (PubChem CID 113216277) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
PubChem CID113216277
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
SMILESCC(C)(NC(=O)NCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-18(2,15-8-10-16(19)11-9-15)21-17(22)20-13-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyVZZKRMWXQNVESW-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-chlorophenyl)propan-2-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113216281
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea
CID 113216326
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-phenylethyl)urea
CID 38214845
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 119168896
1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
CID 108879758
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea (CID 113216277) is 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea is CC(C)(NC(=O)NCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea?
The InChIKey is VZZKRMWXQNVESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-18(2,15-8-10-16(19)11-9-15)21-17(22)20-13-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea?
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea has a molecular weight of 316.83 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 113216277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).