1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea

C17H19ClN2O3 — CID 108871252

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
SMILESCC(NC(=O)NCCc1ccccc1Cl)Oc1ccc(O)cc1
InChIInChI=1S/C17H19ClN2O3/c1-12(23-15-8-6-14(21)7-9-15)20-17(22)19-11-10-13-4-2-3-5-16(13)18/h2-9,12,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyPZVRJNKEUCUCRO-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.31
Rot. Bonds6

About 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea

1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea (PubChem CID 108871252) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
PubChem CID108871252
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
SMILESCC(NC(=O)NCCc1ccccc1Cl)Oc1ccc(O)cc1
InChIInChI=1S/C17H19ClN2O3/c1-12(23-15-8-6-14(21)7-9-15)20-17(22)19-11-10-13-4-2-3-5-16(13)18/h2-9,12,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyPZVRJNKEUCUCRO-UHFFFAOYSA-N
XLogP3.31
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108870935
1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
CID 108879758
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea
CID 108870958
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 108867353
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
CID 108871066
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
1-[(2-bromophenyl)methyl]-3-[1-(4-chlorophenoxy)ethyl]urea
CID 108880036
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108871039
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108900299
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]butanoic acid
CID 108879787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea (CID 108871252) is 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea is CC(NC(=O)NCCc1ccccc1Cl)Oc1ccc(O)cc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The InChIKey is PZVRJNKEUCUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-12(23-15-8-6-14(21)7-9-15)20-17(22)19-11-10-13-4-2-3-5-16(13)18/h2-9,12,21H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea?
1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea has a molecular weight of 334.80 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea is sourced from PubChem (CID 108871252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).