3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide

C15H13F3N2O — CID 79758297

IUPAC3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
SMILESCCN(C(=O)c1c(F)ccc(N)c1F)c1ccc(F)cc1
InChIInChI=1S/C15H13F3N2O/c1-2-20(10-5-3-9(16)4-6-10)15(21)13-11(17)7-8-12(19)14(13)18/h3-8H,2,19H2,1H3
InChIKeyLHXZCOQZNOMPFW-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.35
Rot. Bonds3

About 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide

3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide (PubChem CID 79758297) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
PubChem CID79758297
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
SMILESCCN(C(=O)c1c(F)ccc(N)c1F)c1ccc(F)cc1
InChIInChI=1S/C15H13F3N2O/c1-2-20(10-5-3-9(16)4-6-10)15(21)13-11(17)7-8-12(19)14(13)18/h3-8H,2,19H2,1H3
InChIKeyLHXZCOQZNOMPFW-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
CID 81393771
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079
N-ethyl-4-fluoro-N-(4-fluorophenyl)-3-methylbenzamide
CID 63213159
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
4-amino-N-ethyl-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65354287
3-amino-N-ethyl-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 105069018
4-amino-3,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzamide
CID 82811257
1-(3-amino-2,6-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 147893424
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
4-amino-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 62160198
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
CID 63230338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide (CID 79758297) is 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide is CCN(C(=O)c1c(F)ccc(N)c1F)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide?
The InChIKey is LHXZCOQZNOMPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-2-20(10-5-3-9(16)4-6-10)15(21)13-11(17)7-8-12(19)14(13)18/h3-8H,2,19H2,1H3.
What are the key properties of 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide?
3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 79758297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).