1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea

C12H16Cl2N2O3 — CID 110019202

IUPAC1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESO=C(NCCCOCCO)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3/c13-9-2-3-11(10(14)8-9)16-12(18)15-4-1-6-19-7-5-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18)
InChIKeyOIKZNTBAMKJNKY-UHFFFAOYSA-N
MW307.18 g/mol
LogP2.51
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea

1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea (PubChem CID 110019202) has the molecular formula C12H16Cl2N2O3 and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
PubChem CID110019202
Molecular FormulaC12H16Cl2N2O3
Molecular Weight307.18 g/mol
Exact Mass306.05
IUPAC Name1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESO=C(NCCCOCCO)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O3/c13-9-2-3-11(10(14)8-9)16-12(18)15-4-1-6-19-7-5-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18)
InChIKeyOIKZNTBAMKJNKY-UHFFFAOYSA-N
XLogP2.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 52.51
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-chloro-4-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021320
1-(2-chloro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021364
1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021221
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612
N-(2,4-dichlorophenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678359
1-(2,4-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976443
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
4-chloro-2-(3-propoxypropylcarbamoylamino)benzoic acid
CID 82942351
5-chloro-2-[3-(2-hydroxyethoxy)propylamino]benzoic acid
CID 114171141
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea (CID 110019202) is 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea is O=C(NCCCOCCO)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The InChIKey is OIKZNTBAMKJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3/c13-9-2-3-11(10(14)8-9)16-12(18)15-4-1-6-19-7-5-17/h2-3,8,17H,1,4-7H2,(H2,15,16,18).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea has a molecular weight of 307.18 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea is sourced from PubChem (CID 110019202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).