N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide

C14H9BrCl2FNO — CID 81481515

IUPACN-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c1F
InChIInChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)18)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,19,20)
InChIKeySBAAQAXXVUJJOM-UHFFFAOYSA-N
MW377.04 g/mol
LogP5.46
Rot. Bonds2

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

N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 81481515) has the molecular formula C14H9BrCl2FNO and a molecular weight of 377.04 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
PubChem CID81481515
Molecular FormulaC14H9BrCl2FNO
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c1F
InChIInChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)18)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,19,20)
InChIKeySBAAQAXXVUJJOM-UHFFFAOYSA-N
XLogP5.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.04
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide 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

2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
2-bromo-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 114023836
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676597

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide (CID 81481515) is N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c1F.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is SBAAQAXXVUJJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FNO/c1-7-3-2-4-9(12(7)18)14(20)19-13-10(16)5-8(15)6-11(13)17/h2-6H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide?
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 377.04 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81481515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).