1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea

C13H16Cl2N2O2 — CID 103709932

IUPAC1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)NC1CCCC1CO
InChIInChI=1S/C13H16Cl2N2O2/c14-9-4-5-10(15)12(6-9)17-13(19)16-11-3-1-2-8(11)7-18/h4-6,8,11,18H,1-3,7H2,(H2,16,17,19)
InChIKeyWNEHLGBNBMHNGF-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea

1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea (PubChem CID 103709932) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
PubChem CID103709932
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)NC1CCCC1CO
InChIInChI=1S/C13H16Cl2N2O2/c14-9-4-5-10(15)12(6-9)17-13(19)16-11-3-1-2-8(11)7-18/h4-6,8,11,18H,1-3,7H2,(H2,16,17,19)
InChIKeyWNEHLGBNBMHNGF-UHFFFAOYSA-N
XLogP3.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
3-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103751500
N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840930
1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546
1-(3-chloro-4-cyanophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636109
2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-5-sulfanylbenzamide
CID 114179839
2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81279700
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
3-chloro-4-hydroxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113339750

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea (CID 103709932) is 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea is O=C(Nc1cc(Cl)ccc1Cl)NC1CCCC1CO.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is WNEHLGBNBMHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-9-4-5-10(15)12(6-9)17-13(19)16-11-3-1-2-8(11)7-18/h4-6,8,11,18H,1-3,7H2,(H2,16,17,19).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea?
1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 303.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 103709932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).