1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea

C13H19ClN2O3 — CID 110020567

IUPAC1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCCOCCO
InChIInChI=1S/C13H19ClN2O3/c1-10-11(14)4-2-5-12(10)16-13(18)15-6-3-8-19-9-7-17/h2,4-5,17H,3,6-9H2,1H3,(H2,15,16,18)
InChIKeyPJIQTNPPKZPBQW-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.17
Rot. Bonds7

About 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea

1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea (PubChem CID 110020567) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
PubChem CID110020567
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCCOCCO
InChIInChI=1S/C13H19ClN2O3/c1-10-11(14)4-2-5-12(10)16-13(18)15-6-3-8-19-9-7-17/h2,4-5,17H,3,6-9H2,1H3,(H2,15,16,18)
InChIKeyPJIQTNPPKZPBQW-UHFFFAOYSA-N
XLogP2.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.17
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-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021364
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894261
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
1-(2-chloro-5-fluorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021221
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612
1-(3-chloro-2-methylphenyl)-3-[3-(1,3-dioxoisoindol-2-yl)propyl]urea
CID 108889330
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110021320
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea (CID 110020567) is 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea is Cc1c(Cl)cccc1NC(=O)NCCCOCCO.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
The InChIKey is PJIQTNPPKZPBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-10-11(14)4-2-5-12(10)16-13(18)15-6-3-8-19-9-7-17/h2,4-5,17H,3,6-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea?
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea has a molecular weight of 286.76 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea is sourced from PubChem (CID 110020567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).