2,3-difluoro-N-(3-methoxypropyl)benzamide

C11H13F2NO2 — CID 62650844

IUPAC2,3-difluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-16-7-3-6-14-11(15)8-4-2-5-9(12)10(8)13/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyUSRQGBCSZYXUNG-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.73
Rot. Bonds5

About 2,3-difluoro-N-(3-methoxypropyl)benzamide

2,3-difluoro-N-(3-methoxypropyl)benzamide (PubChem CID 62650844) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methoxypropyl)benzamide
PubChem CID62650844
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2,3-difluoro-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-16-7-3-6-14-11(15)8-4-2-5-9(12)10(8)13/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyUSRQGBCSZYXUNG-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
N'-(2,6-difluorophenyl)-N-(3-methoxypropyl)oxamide
CID 47224631
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
4-(2-fluorophenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 110407748
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
1-(2,3-difluorophenyl)-3-(5-methoxypentyl)urea
CID 86871522

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-methoxypropyl)benzamide (CID 62650844) is 2,3-difluoro-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-methoxypropyl)benzamide?
The InChIKey is USRQGBCSZYXUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-16-7-3-6-14-11(15)8-4-2-5-9(12)10(8)13/h2,4-5H,3,6-7H2,1H3,(H,14,15).
What are the key properties of 2,3-difluoro-N-(3-methoxypropyl)benzamide?
2,3-difluoro-N-(3-methoxypropyl)benzamide has a molecular weight of 229.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 62650844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).