3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea

C13H19ClN2O — CID 115583154

IUPAC3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-16(5-2)13(17)15-10(3)11-8-6-7-9-12(11)14/h6-10H,4-5H2,1-3H3,(H,15,17)
InChIKeyBDQRTPIGAVFUFO-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.45
Rot. Bonds4

About 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea

3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea (PubChem CID 115583154) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea
PubChem CID115583154
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-4-16(5-2)13(17)15-10(3)11-8-6-7-9-12(11)14/h6-10H,4-5H2,1-3H3,(H,15,17)
InChIKeyBDQRTPIGAVFUFO-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea
CID 119074169
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
1-butyl-1-ethyl-3-[1-(2-methylphenyl)ethyl]urea
CID 86998783
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
N-[1-(2-chlorophenyl)ethyl]heptanamide
CID 57313827
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea?
The IUPAC name of 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea (CID 115583154) is 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea is CCN(CC)C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea?
The InChIKey is BDQRTPIGAVFUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-16(5-2)13(17)15-10(3)11-8-6-7-9-12(11)14/h6-10H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea?
3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea has a molecular weight of 254.76 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethyl]-1,1-diethylurea is sourced from PubChem (CID 115583154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).