1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea

C15H21ClN2O3 — CID 99829031

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESO=C(NCCOc1ccc(Cl)cc1)NC[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H21ClN2O3/c16-12-2-5-14(6-3-12)21-8-7-17-15(20)18-10-11-1-4-13(19)9-11/h2-3,5-6,11,13,19H,1,4,7-10H2,(H2,17,18,20)/t11-,13+/m0/s1
InChIKeyOOCDZPHIKNMPOU-WCQYABFASA-N
MW312.80 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea

1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea (PubChem CID 99829031) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
PubChem CID99829031
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
SMILESO=C(NCCOc1ccc(Cl)cc1)NC[C@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H21ClN2O3/c16-12-2-5-14(6-3-12)21-8-7-17-15(20)18-10-11-1-4-13(19)9-11/h2-3,5-6,11,13,19H,1,4,7-10H2,(H2,17,18,20)/t11-,13+/m0/s1
InChIKeyOOCDZPHIKNMPOU-WCQYABFASA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,5-dimethylphenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99830440
N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
CID 103280339
3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279901
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(2-phenoxyethyl)urea
CID 16920175
(4-chlorophenyl) N-[(4-hydroxycyclohexyl)methyl]carbamate
CID 141050189
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
1-[(3-hydroxycyclopentyl)methyl]-3-propylurea
CID 103207904
4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
CID 68875804
1-[2-(4-fluoro-3-methoxyphenyl)ethyl]-3-[[(1S,3S)-3-hydroxycyclopentyl]methyl]urea
CID 99858814
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111506241
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
N-[2-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea (CID 99829031) is 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea is O=C(NCCOc1ccc(Cl)cc1)NC[C@H]1CC[C@@H](O)C1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
The InChIKey is OOCDZPHIKNMPOU-WCQYABFASA-N. The full InChI is InChI=1S/C15H21ClN2O3/c16-12-2-5-14(6-3-12)21-8-7-17-15(20)18-10-11-1-4-13(19)9-11/h2-3,5-6,11,13,19H,1,4,7-10H2,(H2,17,18,20)/t11-,13+/m0/s1.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea?
1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea has a molecular weight of 312.80 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 99829031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).