1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea

C9H11ClN2O2 — CID 108871425

IUPAC1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
SMILESO=C(NCCCl)Nc1ccccc1O
InChIInChI=1S/C9H11ClN2O2/c10-5-6-11-9(14)12-7-3-1-2-4-8(7)13/h1-4,13H,5-6H2,(H2,11,12,14)
InChIKeyDQUVEDRKXNNKMS-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.75
Rot. Bonds3

About 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea

1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea (PubChem CID 108871425) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
PubChem CID108871425
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
SMILESO=C(NCCCl)Nc1ccccc1O
InChIInChI=1S/C9H11ClN2O2/c10-5-6-11-9(14)12-7-3-1-2-4-8(7)13/h1-4,13H,5-6H2,(H2,11,12,14)
InChIKeyDQUVEDRKXNNKMS-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-3-(2-sulfamoylphenyl)urea
CID 14868379
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
1-(2-chloroethyl)-3-[2-(1-methoxyethyl)phenyl]urea
CID 170628856
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
1-(2-chloroethyl)-3-(9H-fluoren-1-yl)urea
CID 67657496
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
1-(2-chloroethyl)-3-(3,5-dihydroxyphenyl)urea
CID 108895408
3-acetamido-N-(2-hydroxyphenyl)propanamide
CID 47110153
1-(2-hydroxyphenyl)-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880185

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea (CID 108871425) is 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea is O=C(NCCCl)Nc1ccccc1O.
What is the InChIKey of 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea?
The InChIKey is DQUVEDRKXNNKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-5-6-11-9(14)12-7-3-1-2-4-8(7)13/h1-4,13H,5-6H2,(H2,11,12,14).
What are the key properties of 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea?
1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea has a molecular weight of 214.65 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 108871425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).