1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea

C11H15ClN2O — CID 94700038

IUPAC1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
SMILESCCNC(=O)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-3-13-11(15)14-8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyBSXYLFWGBRIHCE-MRVPVSSYSA-N
MW226.71 g/mol
LogP2.72
Rot. Bonds3

About 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea

1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea (PubChem CID 94700038) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
PubChem CID94700038
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
SMILESCCNC(=O)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-3-13-11(15)14-8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyBSXYLFWGBRIHCE-MRVPVSSYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
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2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
(2S)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]propanoic acid
CID 54964203
2-chloro-N-[1-(4-chlorophenyl)ethylcarbamoyl]propanamide
CID 54964405
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(ethylamino)butanamide
CID 81353743
1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024080
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
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N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea (CID 94700038) is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea is CCNC(=O)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea?
The InChIKey is BSXYLFWGBRIHCE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-13-11(15)14-8(2)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea?
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea has a molecular weight of 226.71 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea is sourced from PubChem (CID 94700038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).