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

C15H15ClN2O3 — CID 108870935

IUPAC1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
SMILESCC(NC(=O)Nc1ccccc1Cl)Oc1ccc(O)cc1
InChIInChI=1S/C15H15ClN2O3/c1-10(21-12-8-6-11(19)7-9-12)17-15(20)18-14-5-3-2-4-13(14)16/h2-10,19H,1H3,(H2,17,18,20)
InChIKeyPNKKKEZGFIQJCH-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.59
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea (PubChem CID 108870935) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
PubChem CID108870935
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
SMILESCC(NC(=O)Nc1ccccc1Cl)Oc1ccc(O)cc1
InChIInChI=1S/C15H15ClN2O3/c1-10(21-12-8-6-11(19)7-9-12)17-15(20)18-14-5-3-2-4-13(14)16/h2-10,19H,1H3,(H2,17,18,20)
InChIKeyPNKKKEZGFIQJCH-UHFFFAOYSA-N
XLogP3.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.59
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-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871252
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate
CID 108871020
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871145
N-(2-chlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953273
1-(2-chloro-5-nitrophenyl)-3-[1-(4-chlorophenoxy)ethyl]urea
CID 108879808

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea (CID 108870935) is 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea is CC(NC(=O)Nc1ccccc1Cl)Oc1ccc(O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea?
The InChIKey is PNKKKEZGFIQJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-10(21-12-8-6-11(19)7-9-12)17-15(20)18-14-5-3-2-4-13(14)16/h2-10,19H,1H3,(H2,17,18,20).
What are the key properties of 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea?
1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea has a molecular weight of 306.75 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea is sourced from PubChem (CID 108870935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).