1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea

C11H14F2N2O2 — CID 47193946

IUPAC1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O2/c1-17-6-2-5-14-11(16)15-10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16)
InChIKeyMDPNAVOKXSYJOO-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.12
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea

1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea (PubChem CID 47193946) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
PubChem CID47193946
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O2/c1-17-6-2-5-14-11(16)15-10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16)
InChIKeyMDPNAVOKXSYJOO-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.12
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-2-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47032179
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026
4,5-difluoro-2-(3-methoxypropylcarbamoylamino)benzoic acid
CID 62866805
1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
1-(2,4-difluorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 46457511
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612
1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
CID 86871522
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea (CID 47193946) is 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea is COCCCNC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea?
The InChIKey is MDPNAVOKXSYJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-17-6-2-5-14-11(16)15-10-7-8(12)3-4-9(10)13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea?
1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea has a molecular weight of 244.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 47193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).