1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea

C13H18Cl2N2O2 — CID 47440630

IUPAC1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-19-6-2-4-16-13(18)17-5-3-10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3,(H2,16,17,18)
InChIKeyPTZPWMHZJZYOQC-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.87
Rot. Bonds7

About 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea

1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea (PubChem CID 47440630) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea
PubChem CID47440630
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-19-6-2-4-16-13(18)17-5-3-10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3,(H2,16,17,18)
InChIKeyPTZPWMHZJZYOQC-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47442422
N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide
CID 110480475
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
1-[(3-chlorophenyl)methyl]-3-(4-methoxybutyl)urea
CID 47217383
N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959695
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60591409
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60593286
3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide
CID 111664681
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea (CID 47440630) is 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea is COCCCNC(=O)NCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea?
The InChIKey is PTZPWMHZJZYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-19-6-2-4-16-13(18)17-5-3-10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea?
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea has a molecular weight of 305.20 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 47440630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).