5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide

C15H13F3N2O — CID 61117350

IUPAC5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(N)c(F)cc1F)c1ccccc1F
InChIInChI=1S/C15H13F3N2O/c1-8(9-4-2-3-5-11(9)16)20-15(21)10-6-14(19)13(18)7-12(10)17/h2-8H,19H2,1H3,(H,20,21)
InChIKeyRUXIICWLAVRNTN-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.18
Rot. Bonds3

About 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide

5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide (PubChem CID 61117350) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
PubChem CID61117350
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(N)c(F)cc1F)c1ccccc1F
InChIInChI=1S/C15H13F3N2O/c1-8(9-4-2-3-5-11(9)16)20-15(21)10-6-14(19)13(18)7-12(10)17/h2-8H,19H2,1H3,(H,20,21)
InChIKeyRUXIICWLAVRNTN-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
CID 61118167
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654
5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide
CID 61092146
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 61094421
5-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61117008
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
CID 114344109
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 82812874
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
N-[1-(2-fluorophenyl)ethyl]-5-methyl-2-(methylamino)benzamide
CID 62508680
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216
2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 105380534

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide (CID 61117350) is 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1cc(N)c(F)cc1F)c1ccccc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is RUXIICWLAVRNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-8(9-4-2-3-5-11(9)16)20-15(21)10-6-14(19)13(18)7-12(10)17/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide?
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 61117350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).