1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea

C13H19ClN2O — CID 108867353

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-10(2)9-16-13(17)15-8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyGUZYVBWQXYHKGM-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.84
Rot. Bonds5

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

1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea (PubChem CID 108867353) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
PubChem CID108867353
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-10(2)9-16-13(17)15-8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3,(H2,15,16,17)
InChIKeyGUZYVBWQXYHKGM-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
CID 110624857
tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900398
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
N-[3-[2-(2-chlorophenyl)ethylcarbamoylamino]propyl]formamide
CID 108900336
1-[(4-bromophenyl)methyl]-3-[2-(2-chlorophenyl)ethyl]urea
CID 108899597
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
CID 110607188
1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871252

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea (CID 108867353) is 1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCCc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea?
The InChIKey is GUZYVBWQXYHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(2)9-16-13(17)15-8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea?
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea has a molecular weight of 254.76 g/mol, XLogP of 2.84, 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-methylpropyl)urea is sourced from PubChem (CID 108867353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).