1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea

C14H19ClN2O — CID 47197433

IUPAC1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NC1CC1
InChIInChI=1S/C14H19ClN2O/c1-3-9-5-8-12(15)11(4-2)13(9)17-14(18)16-10-6-7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,16,17,18)
InChIKeyGLQMOJZEBKAKCF-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea

1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea (PubChem CID 47197433) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
PubChem CID47197433
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NC1CC1
InChIInChI=1S/C14H19ClN2O/c1-3-9-5-8-12(15)11(4-2)13(9)17-14(18)16-10-6-7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,16,17,18)
InChIKeyGLQMOJZEBKAKCF-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide
CID 11934836
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea
CID 116654082
1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide
CID 126805479
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
N-(3-chloro-2,6-diethylphenyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35557106
2-[[1-[(3-chloro-2,6-diethylphenyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122074115
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea?
The IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea (CID 47197433) is 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea is CCc1ccc(Cl)c(CC)c1NC(=O)NC1CC1.
What is the InChIKey of 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea?
The InChIKey is GLQMOJZEBKAKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-3-9-5-8-12(15)11(4-2)13(9)17-14(18)16-10-6-7-10/h5,8,10H,3-4,6-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea?
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea has a molecular weight of 266.77 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea is sourced from PubChem (CID 47197433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).