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

C13H18F2N2O2 — CID 46457511

IUPAC1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-9(2)19-7-3-6-16-13(18)17-12-5-4-10(14)8-11(12)15/h4-5,8-9H,3,6-7H2,1-2H3,(H2,16,17,18)
InChIKeyBNDLXIYGJTUQTI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.90
Rot. Bonds6

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

1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea (PubChem CID 46457511) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
PubChem CID46457511
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
SMILESCC(C)OCCCNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-9(2)19-7-3-6-16-13(18)17-12-5-4-10(14)8-11(12)15/h4-5,8-9H,3,6-7H2,1-2H3,(H2,16,17,18)
InChIKeyBNDLXIYGJTUQTI-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.90
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

5-fluoro-2-(2-propan-2-yloxyethylcarbamoylamino)benzoic acid
CID 104763722
1-(3-cyanopropyl)-3-(2,4-difluorophenyl)urea
CID 62667576
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
CID 47193946
1-(4-chloro-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
1-[2-(4-bromophenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112971370
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea (CID 46457511) is 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea is CC(C)OCCCNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea?
The InChIKey is BNDLXIYGJTUQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9(2)19-7-3-6-16-13(18)17-12-5-4-10(14)8-11(12)15/h4-5,8-9H,3,6-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea?
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea has a molecular weight of 272.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea is sourced from PubChem (CID 46457511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).