N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide

C11H10BrCl2F2NO — CID 107491837

IUPACN-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(CCBr)CC(F)F
InChIInChI=1S/C11H10BrCl2F2NO/c12-4-5-17(6-9(15)16)11(18)10-7(13)2-1-3-8(10)14/h1-3,9H,4-6H2
InChIKeyDIHWQSIFAMJDLZ-UHFFFAOYSA-N
MW361.01 g/mol
LogP4.10
Rot. Bonds5

About N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide

N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide (PubChem CID 107491837) has the molecular formula C11H10BrCl2F2NO and a molecular weight of 361.01 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide
PubChem CID107491837
Molecular FormulaC11H10BrCl2F2NO
Molecular Weight361.01 g/mol
Exact Mass358.93
IUPAC NameN-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(CCBr)CC(F)F
InChIInChI=1S/C11H10BrCl2F2NO/c12-4-5-17(6-9(15)16)11(18)10-7(13)2-1-3-8(10)14/h1-3,9H,4-6H2
InChIKeyDIHWQSIFAMJDLZ-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.01
LogP ≤ 54.10
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-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 107491616
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
N-(2-bromoethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
CID 107491794
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-3-methoxybenzamide
CID 107491724
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,4-dihydroxybenzamide
CID 107729136
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2H-triazole-4-carboxamide
CID 107491755
N-(2-bromoethyl)-2-chloro-N-ethylbenzamide
CID 80660841
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-methylfuran-2-carboxamide
CID 107491528
4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
CID 107491830
2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-fluorobenzamide
CID 107491527
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide
CID 107491884
2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
CID 107479991

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide (CID 107491837) is N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide is O=C(c1c(Cl)cccc1Cl)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide?
The InChIKey is DIHWQSIFAMJDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2F2NO/c12-4-5-17(6-9(15)16)11(18)10-7(13)2-1-3-8(10)14/h1-3,9H,4-6H2.
What are the key properties of N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide?
N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide has a molecular weight of 361.01 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzamide is sourced from PubChem (CID 107491837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).