1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea

C15H23ClN2O3 — CID 72920762

IUPAC1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea
SMILESCCC(O)(CCCO)CNC(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C15H23ClN2O3/c1-3-15(21,8-5-9-19)10-17-14(20)18-13-11(2)6-4-7-12(13)16/h4,6-7,19,21H,3,5,8-10H2,1-2H3,(H2,17,18,20)
InChIKeyLCBMSRBLUCYOFY-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.68
Rot. Bonds7

About 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea

1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea (PubChem CID 72920762) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea
PubChem CID72920762
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea
SMILESCCC(O)(CCCO)CNC(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C15H23ClN2O3/c1-3-15(21,8-5-9-19)10-17-14(20)18-13-11(2)6-4-7-12(13)16/h4,6-7,19,21H,3,5,8-10H2,1-2H3,(H2,17,18,20)
InChIKeyLCBMSRBLUCYOFY-UHFFFAOYSA-N
XLogP2.68
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-methylphenyl)-3-[3-(diethylamino)propyl]urea;hydrochloride
CID 21153854
1-(2-chloro-6-methylphenyl)-3-[3-(dimethylamino)propyl]urea;hydrochloride
CID 3060919
4-[(2-chloro-6-methylphenyl)carbamoylamino]butanoic acid
CID 66252746
1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111103609
2-(2,2-dimethylbutylcarbamoylamino)-3-methylbenzoic acid
CID 103463175
5-[(2-chloro-6-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686781
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
CID 66254759
(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757028
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463759
1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 134086734

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea?
The IUPAC name of 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea (CID 72920762) is 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea.
What is the SMILES notation for 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea?
The canonical SMILES for 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea is CCC(O)(CCCO)CNC(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea?
The InChIKey is LCBMSRBLUCYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-3-15(21,8-5-9-19)10-17-14(20)18-13-11(2)6-4-7-12(13)16/h4,6-7,19,21H,3,5,8-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea?
1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea has a molecular weight of 314.81 g/mol, XLogP of 2.68, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenyl)-3-(2-ethyl-2,5-dihydroxypentyl)urea is sourced from PubChem (CID 72920762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).