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

C18H21ClN2O — CID 113216326

IUPAC1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-4-13-7-5-6-8-16(13)20-17(22)21-18(2,3)14-9-11-15(19)12-10-14/h5-12H,4H2,1-3H3,(H2,20,21,22)
InChIKeyWJXFIHBNONUOBS-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.96
Rot. Bonds4

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

1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea (PubChem CID 113216326) 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-ethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea
PubChem CID113216326
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NC(C)(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-4-13-7-5-6-8-16(13)20-17(22)21-18(2,3)14-9-11-15(19)12-10-14/h5-12H,4H2,1-3H3,(H2,20,21,22)
InChIKeyWJXFIHBNONUOBS-UHFFFAOYSA-N
XLogP4.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968199
2-(2-chlorophenyl)-N-[2-(4-chlorophenyl)propan-2-yl]acetamide
CID 12807701
1-(5-chloro-2-methylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081845
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216357
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-phenylethyl)urea
CID 113216277
1-[2-(4-chlorophenyl)propan-2-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113216281
N-[(4-chlorophenyl)methyl]-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962819
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216496

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea (CID 113216326) is 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NC(C)(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea?
The InChIKey is WJXFIHBNONUOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-4-13-7-5-6-8-16(13)20-17(22)21-18(2,3)14-9-11-15(19)12-10-14/h5-12H,4H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea?
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea has a molecular weight of 316.83 g/mol, XLogP of 4.96, 4 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-ethylphenyl)urea is sourced from PubChem (CID 113216326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).