2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide

C13H17F2NO2 — CID 62662327

IUPAC2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-9(2)18-8-4-7-16-13(17)10-5-3-6-11(14)12(10)15/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyZKEINCGYTBFLQK-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.51
Rot. Bonds6

About 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide

2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 62662327) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID62662327
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-9(2)18-8-4-7-16-13(17)10-5-3-6-11(14)12(10)15/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyZKEINCGYTBFLQK-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.51
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-methoxypropyl)benzamide
CID 62650844
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 71977759
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
N-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38036526
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
2,3-difluoro-N-pentylbenzamide
CID 62649821

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide (CID 62662327) is 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is ZKEINCGYTBFLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9(2)18-8-4-7-16-13(17)10-5-3-6-11(14)12(10)15/h3,5-6,9H,4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide?
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 257.28 g/mol, XLogP of 2.51, 6 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-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 62662327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).