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

C14H21ClN2O — CID 47108166

IUPAC1-(3-chloro-2,6-diethylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1c(CC)ccc(Cl)c1CC
InChIInChI=1S/C14H21ClN2O/c1-4-9-16-14(18)17-13-10(5-2)7-8-12(15)11(13)6-3/h7-8H,4-6,9H2,1-3H3,(H2,16,17,18)
InChIKeyZKSADWIWOYRXAD-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.00
Rot. Bonds5

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

1-(3-chloro-2,6-diethylphenyl)-3-propylurea (PubChem CID 47108166) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(3-chloro-2,6-diethylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(3-chloro-2,6-diethylphenyl)-3-propylurea
PubChem CID47108166
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(3-chloro-2,6-diethylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1c(CC)ccc(Cl)c1CC
InChIInChI=1S/C14H21ClN2O/c1-4-9-16-14(18)17-13-10(5-2)7-8-12(15)11(13)6-3/h7-8H,4-6,9H2,1-3H3,(H2,16,17,18)
InChIKeyZKSADWIWOYRXAD-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890756
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944969
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide
CID 139847599
1-(3-chloro-2,6-diethylphenyl)-3-[2-[(3-nitrophenyl)sulfonylamino]ethyl]urea
CID 47081847
N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715
1-(4-bromo-2,6-dichlorophenyl)-3-propylurea
CID 115571566
4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 26198654

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-propylurea?
The IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-propylurea (CID 47108166) is 1-(3-chloro-2,6-diethylphenyl)-3-propylurea.
What is the SMILES notation for 1-(3-chloro-2,6-diethylphenyl)-3-propylurea?
The canonical SMILES for 1-(3-chloro-2,6-diethylphenyl)-3-propylurea is CCCNC(=O)Nc1c(CC)ccc(Cl)c1CC.
What is the InChIKey of 1-(3-chloro-2,6-diethylphenyl)-3-propylurea?
The InChIKey is ZKSADWIWOYRXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-9-16-14(18)17-13-10(5-2)7-8-12(15)11(13)6-3/h7-8H,4-6,9H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-2,6-diethylphenyl)-3-propylurea?
1-(3-chloro-2,6-diethylphenyl)-3-propylurea has a molecular weight of 268.79 g/mol, XLogP of 4.00, 5 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-propylurea is sourced from PubChem (CID 47108166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).