N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide

C15H14F2N2O — CID 63120453

IUPACN-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
SMILESNC(CNC(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2O/c16-11-7-4-8-12(17)14(11)15(20)19-9-13(18)10-5-2-1-3-6-10/h1-8,13H,9,18H2,(H,19,20)
InChIKeyVHGKEHIUPVZMNE-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.39
Rot. Bonds4

About N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide

N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide (PubChem CID 63120453) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
PubChem CID63120453
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2-amino-2-phenylethyl)-2,6-difluorobenzamide
SMILESNC(CNC(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C15H14F2N2O/c16-11-7-4-8-12(17)14(11)15(20)19-9-13(18)10-5-2-1-3-6-10/h1-8,13H,9,18H2,(H,19,20)
InChIKeyVHGKEHIUPVZMNE-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211
N-(2-amino-2-phenylethyl)-2-methylsulfanylbenzamide
CID 79217268
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
N-(2-amino-2-phenylethyl)-3-bromo-4-fluorobenzamide
CID 103806531
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
N-(2-amino-2-phenylethyl)-2,5-dibromobenzamide
CID 114374319
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
N-(2-amino-2-phenylethyl)-2-nitrobenzamide
CID 63120393

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide (CID 63120453) is N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide is NC(CNC(=O)c1c(F)cccc1F)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide?
The InChIKey is VHGKEHIUPVZMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-11-7-4-8-12(17)14(11)15(20)19-9-13(18)10-5-2-1-3-6-10/h1-8,13H,9,18H2,(H,19,20).
What are the key properties of N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide?
N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide has a molecular weight of 276.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2,6-difluorobenzamide is sourced from PubChem (CID 63120453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).