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

C16H23ClN2O — CID 108903046

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
SMILESO=C(NCCc1ccccc1Cl)NCC1CCCCC1
InChIInChI=1S/C16H23ClN2O/c17-15-9-5-4-8-14(15)10-11-18-16(20)19-12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H2,18,19,20)
InChIKeyKPLJQPBFEQQIFI-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.76
Rot. Bonds5

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

1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea (PubChem CID 108903046) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
PubChem CID108903046
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea
SMILESO=C(NCCc1ccccc1Cl)NCC1CCCCC1
InChIInChI=1S/C16H23ClN2O/c17-15-9-5-4-8-14(15)10-11-18-16(20)19-12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H2,18,19,20)
InChIKeyKPLJQPBFEQQIFI-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[(E)-2-cyclopentylethenyl]urea
CID 108911956
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
CID 69012648
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
N-[[4-[[(2-chlorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 23761916
1-chloro-2-(2-cyclohexylethyl)benzene
CID 57280256
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea (CID 108903046) is 1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea is O=C(NCCc1ccccc1Cl)NCC1CCCCC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea?
The InChIKey is KPLJQPBFEQQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-15-9-5-4-8-14(15)10-11-18-16(20)19-12-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H2,18,19,20).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea?
1-[2-(2-chlorophenyl)ethyl]-3-(cyclohexylmethyl)urea has a molecular weight of 294.83 g/mol, XLogP of 3.76, 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-(cyclohexylmethyl)urea is sourced from PubChem (CID 108903046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).