2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide

C13H7BrCl2FNO — CID 115678055

IUPAC2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1c(F)cccc1Br
InChIInChI=1S/C13H7BrCl2FNO/c14-8-2-1-3-11(17)12(8)13(19)18-7-4-5-9(15)10(16)6-7/h1-6H,(H,18,19)
InChIKeyQJDQLBUGHUWORR-UHFFFAOYSA-N
MW363.01 g/mol
LogP5.15
Rot. Bonds2

About 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide

2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide (PubChem CID 115678055) has the molecular formula C13H7BrCl2FNO and a molecular weight of 363.01 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
PubChem CID115678055
Molecular FormulaC13H7BrCl2FNO
Molecular Weight363.01 g/mol
Exact Mass360.91
IUPAC Name2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1c(F)cccc1Br
InChIInChI=1S/C13H7BrCl2FNO/c14-8-2-1-3-11(17)12(8)13(19)18-7-4-5-9(15)10(16)6-7/h1-6H,(H,18,19)
InChIKeyQJDQLBUGHUWORR-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.01
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
CID 115678420
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
CID 103891179
2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
CID 115678157
4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 114558539

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide (CID 115678055) is 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide?
The InChIKey is QJDQLBUGHUWORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO/c14-8-2-1-3-11(17)12(8)13(19)18-7-4-5-9(15)10(16)6-7/h1-6H,(H,18,19).
What are the key properties of 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide?
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide has a molecular weight of 363.01 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide is sourced from PubChem (CID 115678055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).