3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea

C12H17ClN2O — CID 115603907

IUPAC3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-4-15(3)12(16)14-9(2)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeyPVOATCVKVSJXMS-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.06
Rot. Bonds3

About 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea

3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea (PubChem CID 115603907) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
PubChem CID115603907
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-4-15(3)12(16)14-9(2)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3,(H,14,16)
InChIKeyPVOATCVKVSJXMS-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603501
3-[1-(4-chlorophenyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62853388
3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110894919
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
3-[1-(1,3-benzodioxol-5-yl)ethyl]-1-[(4-chlorophenyl)methyl]-1-methylurea
CID 51326047
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498873

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea?
The IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea (CID 115603907) is 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea is CCN(C)C(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea?
The InChIKey is PVOATCVKVSJXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-15(3)12(16)14-9(2)10-5-7-11(13)8-6-10/h5-9H,4H2,1-3H3,(H,14,16).
What are the key properties of 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea?
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea has a molecular weight of 240.73 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea is sourced from PubChem (CID 115603907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).