1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C14H19ClN2O2 — CID 111472645

IUPAC1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-14(9-18)8-4-7-12(14)17-13(19)16-11-6-3-2-5-10(11)15/h2-3,5-6,12,18H,4,7-9H2,1H3,(H2,16,17,19)
InChIKeyQHRHWRABFGVMIM-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111472645) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111472645
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCC1(CO)CCCC1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-14(9-18)8-4-7-12(14)17-13(19)16-11-6-3-2-5-10(11)15/h2-3,5-6,12,18H,4,7-9H2,1H3,(H2,16,17,19)
InChIKeyQHRHWRABFGVMIM-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111472755
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111840673
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(2-phenylcyclopropyl)methyl]urea
CID 111506232
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide
CID 109399464
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[[2-(ethoxymethyl)phenyl]methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504618
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111503818

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111472645) is 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CC1(CO)CCCC1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is QHRHWRABFGVMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(9-18)8-4-7-12(14)17-13(19)16-11-6-3-2-5-10(11)15/h2-3,5-6,12,18H,4,7-9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 282.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111472645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).