N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide

C11H10BrClF2INO — CID 107491616

IUPACN-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
SMILESO=C(c1ccc(I)c(Cl)c1)N(CCBr)CC(F)F
InChIInChI=1S/C11H10BrClF2INO/c12-3-4-17(6-10(14)15)11(18)7-1-2-9(16)8(13)5-7/h1-2,5,10H,3-4,6H2
InChIKeyMWGBCKYYCRJMLV-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.05
Rot. Bonds5

About N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide

N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide (PubChem CID 107491616) has the molecular formula C11H10BrClF2INO and a molecular weight of 452.46 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
PubChem CID107491616
Molecular FormulaC11H10BrClF2INO
Molecular Weight452.46 g/mol
Exact Mass450.86
IUPAC NameN-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
SMILESO=C(c1ccc(I)c(Cl)c1)N(CCBr)CC(F)F
InChIInChI=1S/C11H10BrClF2INO/c12-3-4-17(6-10(14)15)11(18)7-1-2-9(16)8(13)5-7/h1-2,5,10H,3-4,6H2
InChIKeyMWGBCKYYCRJMLV-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide 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

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,4-dihydroxybenzamide
CID 107729136
N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide
CID 107491837
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzamide
CID 107491591
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide
CID 107491529
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-methoxy-4-nitrobenzamide
CID 107491672
4-bromo-N-(2-bromoethyl)-3-chloro-N-ethylbenzamide
CID 81308136
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide
CID 107491527
4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
CID 107491830
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-5-methylbenzamide
CID 107491889

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide?
The IUPAC name of N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide (CID 107491616) is N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide?
The canonical SMILES for N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide is O=C(c1ccc(I)c(Cl)c1)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide?
The InChIKey is MWGBCKYYCRJMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF2INO/c12-3-4-17(6-10(14)15)11(18)7-1-2-9(16)8(13)5-7/h1-2,5,10H,3-4,6H2.
What are the key properties of N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide?
N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide has a molecular weight of 452.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide is sourced from PubChem (CID 107491616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).