3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide

C11H10BrClF3NO — CID 114020515

IUPAC3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
SMILESO=C(c1cccc(Br)c1F)N(CCCl)CC(F)F
InChIInChI=1S/C11H10BrClF3NO/c12-8-3-1-2-7(10(8)16)11(18)17(5-4-13)6-9(14)15/h1-3,9H,4-6H2
InChIKeyHVCDBJIQGGUGAA-UHFFFAOYSA-N
MW344.56 g/mol
LogP3.53
Rot. Bonds5

About 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide

3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide (PubChem CID 114020515) has the molecular formula C11H10BrClF3NO and a molecular weight of 344.56 g/mol. Its IUPAC name is 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
PubChem CID114020515
Molecular FormulaC11H10BrClF3NO
Molecular Weight344.56 g/mol
Exact Mass342.96
IUPAC Name3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
SMILESO=C(c1cccc(Br)c1F)N(CCCl)CC(F)F
InChIInChI=1S/C11H10BrClF3NO/c12-8-3-1-2-7(10(8)16)11(18)17(5-4-13)6-9(14)15/h1-3,9H,4-6H2
InChIKeyHVCDBJIQGGUGAA-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.56
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylsulfanylbenzamide
CID 107490901
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
CID 107491097
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
CID 107479991
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 107490909
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1-benzothiophene-3-carboxamide
CID 107490860
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
CID 107952814
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide
CID 107490960

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide (CID 114020515) is 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide is O=C(c1cccc(Br)c1F)N(CCCl)CC(F)F.
What is the InChIKey of 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide?
The InChIKey is HVCDBJIQGGUGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO/c12-8-3-1-2-7(10(8)16)11(18)17(5-4-13)6-9(14)15/h1-3,9H,4-6H2.
What are the key properties of 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide?
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide has a molecular weight of 344.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide is sourced from PubChem (CID 114020515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).