3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea

C15H21ClN2O3 — CID 111431508

IUPAC3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-18(8-9-19)15(20)17-11-6-7-14(13(16)10-11)21-12-4-2-3-5-12/h6-7,10,12,19H,2-5,8-9H2,1H3,(H,17,20)
InChIKeyBXRCBRUIUCDUFA-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.12
Rot. Bonds5

About 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea

3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 111431508) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
PubChem CID111431508
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-18(8-9-19)15(20)17-11-6-7-14(13(16)10-11)21-12-4-2-3-5-12/h6-7,10,12,19H,2-5,8-9H2,1H3,(H,17,20)
InChIKeyBXRCBRUIUCDUFA-UHFFFAOYSA-N
XLogP3.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111475508
2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120987263
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60577123
3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396930
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 78825056
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
3-(3-chloro-4-propoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110896948
2-chloro-4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]benzoic acid
CID 102865423
3-(4-cyclobutyloxy-3-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397107
2-chloro-N-(3-chloro-4-cyclopentyloxyphenyl)pyridine-4-carboxamide
CID 60574786
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 71886636

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea (CID 111431508) is 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is BXRCBRUIUCDUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-18(8-9-19)15(20)17-11-6-7-14(13(16)10-11)21-12-4-2-3-5-12/h6-7,10,12,19H,2-5,8-9H2,1H3,(H,17,20).
What are the key properties of 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea?
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 312.80 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 111431508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).