1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea

C15H21ClN2O3 — CID 111103677

IUPAC1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCCOc1c(Cl)cccc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-13-11(16)6-5-7-12(13)18-14(19)17-10-15(20)8-3-4-9-15/h5-7,20H,2-4,8-10H2,1H3,(H2,17,18,19)
InChIKeyAQVHOBSJTUIAAD-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.17
Rot. Bonds5

About 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103677) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103677
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCCOc1c(Cl)cccc1NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-13-11(16)6-5-7-12(13)18-14(19)17-10-15(20)8-3-4-9-15/h5-7,20H,2-4,8-10H2,1H3,(H2,17,18,19)
InChIKeyAQVHOBSJTUIAAD-UHFFFAOYSA-N
XLogP3.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437655
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
1-(3-chloro-2-ethoxyphenyl)-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 71972782
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
(4aS,8aS)-N-(3-chloro-2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 74240403
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237
N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
CID 111435658
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103677) is 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is CCOc1c(Cl)cccc1NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is AQVHOBSJTUIAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-21-13-11(16)6-5-7-12(13)18-14(19)17-10-15(20)8-3-4-9-15/h5-7,20H,2-4,8-10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 312.80 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).