2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide

C15H13BrF2N2O — CID 79704733

IUPAC2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1N)c1c(F)cccc1F
InChIInChI=1S/C15H13BrF2N2O/c1-8(14-11(17)3-2-4-12(14)18)20-15(21)10-6-5-9(16)7-13(10)19/h2-8H,19H2,1H3,(H,20,21)
InChIKeyRMYQNZBMDFNOFC-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.80
Rot. Bonds3

About 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide

2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide (PubChem CID 79704733) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide
PubChem CID79704733
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1N)c1c(F)cccc1F
InChIInChI=1S/C15H13BrF2N2O/c1-8(14-11(17)3-2-4-12(14)18)20-15(21)10-6-5-9(16)7-13(10)19/h2-8H,19H2,1H3,(H,20,21)
InChIKeyRMYQNZBMDFNOFC-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.80
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

5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbenzamide
CID 65306853
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 43297640
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
2-amino-4-bromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 79723305
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
CID 79705015
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide (CID 79704733) is 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1N)c1c(F)cccc1F.
What is the InChIKey of 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide?
The InChIKey is RMYQNZBMDFNOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-8(14-11(17)3-2-4-12(14)18)20-15(21)10-6-5-9(16)7-13(10)19/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide?
2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide has a molecular weight of 355.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 79704733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).