2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide

C11H10Br2F3NO — CID 107491527

IUPAC2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1Br)N(CCBr)CC(F)F
InChIInChI=1S/C11H10Br2F3NO/c12-3-4-17(6-10(15)16)11(18)8-2-1-7(14)5-9(8)13/h1-2,5,10H,3-4,6H2
InChIKeyXMZDDSBHKXPWTJ-UHFFFAOYSA-N
MW389.01 g/mol
LogP3.69
Rot. Bonds5

About 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide

2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide (PubChem CID 107491527) has the molecular formula C11H10Br2F3NO and a molecular weight of 389.01 g/mol. Its IUPAC name is 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide
PubChem CID107491527
Molecular FormulaC11H10Br2F3NO
Molecular Weight389.01 g/mol
Exact Mass386.91
IUPAC Name2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1Br)N(CCBr)CC(F)F
InChIInChI=1S/C11H10Br2F3NO/c12-3-4-17(6-10(15)16)11(18)8-2-1-7(14)5-9(8)13/h1-2,5,10H,3-4,6H2
InChIKeyXMZDDSBHKXPWTJ-UHFFFAOYSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.01
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
CID 107491830
N,N-bis(2-amino-2-oxoethyl)-2-bromo-4-fluorobenzamide
CID 55156067
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-5-methylbenzamide
CID 107491889
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,4-dihydroxybenzamide
CID 107729136
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-3-methoxybenzamide
CID 107491724
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107483927
N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide
CID 107491837
N-(2-bromoethyl)-N-butyl-2,4-difluorobenzamide
CID 80662300
2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038650
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 114020515

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide (CID 107491527) is 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide is O=C(c1ccc(F)cc1Br)N(CCBr)CC(F)F.
What is the InChIKey of 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide?
The InChIKey is XMZDDSBHKXPWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2F3NO/c12-3-4-17(6-10(15)16)11(18)8-2-1-7(14)5-9(8)13/h1-2,5,10H,3-4,6H2.
What are the key properties of 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide?
2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide has a molecular weight of 389.01 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide is sourced from PubChem (CID 107491527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).