N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide

C10H10BrF3N2O — CID 107956309

IUPACN-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
SMILESNCC(F)(F)CNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H10BrF3N2O/c11-7-3-1-2-6(8(7)12)9(17)16-5-10(13,14)4-15/h1-3H,4-5,15H2,(H,16,17)
InChIKeyQJCVYDDHVNONGH-UHFFFAOYSA-N
MW311.10 g/mol
LogP1.91
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide

N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide (PubChem CID 107956309) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
PubChem CID107956309
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
SMILESNCC(F)(F)CNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H10BrF3N2O/c11-7-3-1-2-6(8(7)12)9(17)16-5-10(13,14)4-15/h1-3H,4-5,15H2,(H,16,17)
InChIKeyQJCVYDDHVNONGH-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
CID 106548223
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
CID 122081037
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835
N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
N-(3-amino-2,2-difluoropropyl)-2-iodobenzamide
CID 114383668
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114383719
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide (CID 107956309) is N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide is NCC(F)(F)CNC(=O)c1cccc(Br)c1F.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide?
The InChIKey is QJCVYDDHVNONGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c11-7-3-1-2-6(8(7)12)9(17)16-5-10(13,14)4-15/h1-3H,4-5,15H2,(H,16,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide?
N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide has a molecular weight of 311.10 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107956309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).