2,4-difluoro-N-(2-phenoxyethyl)benzamide

C15H13F2NO2 — CID 26676947

IUPAC2,4-difluoro-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO2/c16-11-6-7-13(14(17)10-11)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyBBXKFJWHWGWFMG-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.77
Rot. Bonds5

About 2,4-difluoro-N-(2-phenoxyethyl)benzamide

2,4-difluoro-N-(2-phenoxyethyl)benzamide (PubChem CID 26676947) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-phenoxyethyl)benzamide
PubChem CID26676947
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2,4-difluoro-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO2/c16-11-6-7-13(14(17)10-11)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyBBXKFJWHWGWFMG-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.77
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

2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175
N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55919465
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
2-fluoro-N-(2-phenoxyethyl)-5-sulfanylbenzamide
CID 107026803
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256
3-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 112739168
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
N-[2-(4-aminophenoxy)ethyl]-2-bromo-4-fluorobenzamide
CID 61031991

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-phenoxyethyl)benzamide (CID 26676947) is 2,4-difluoro-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-phenoxyethyl)benzamide is O=C(NCCOc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-phenoxyethyl)benzamide?
The InChIKey is BBXKFJWHWGWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c16-11-6-7-13(14(17)10-11)15(19)18-8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of 2,4-difluoro-N-(2-phenoxyethyl)benzamide?
2,4-difluoro-N-(2-phenoxyethyl)benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 26676947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).