1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea

C13H18Cl2N2O2 — CID 5202458

IUPAC1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-9(2)19-7-3-6-16-13(18)17-10-4-5-11(14)12(15)8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,16,17,18)
InChIKeyFMGHJOBZKUXAAK-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.93
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea

1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea (PubChem CID 5202458) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
PubChem CID5202458
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-9(2)19-7-3-6-16-13(18)17-10-4-5-11(14)12(15)8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,16,17,18)
InChIKeyFMGHJOBZKUXAAK-UHFFFAOYSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.93
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-(4-chloro-3-nitrophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 47032332
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
CID 17466807
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
1-(3-propan-2-yloxypropyl)-3-(4-pyrrol-1-ylphenyl)urea
CID 108886776
1-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)-3-(3-propan-2-yloxypropyl)urea
CID 167943081
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216
1-(3-chlorophenyl)-3-[3-(1-phenylethoxy)propyl]urea
CID 74541947

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea (CID 5202458) is 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea is CC(C)OCCCNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea?
The InChIKey is FMGHJOBZKUXAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-9(2)19-7-3-6-16-13(18)17-10-4-5-11(14)12(15)8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea?
1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea has a molecular weight of 305.20 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea is sourced from PubChem (CID 5202458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).