N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide

C14H10BrClFNO — CID 81004240

IUPACN-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2F)c(Br)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-5-6-12(10(15)7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyPKQKJRGWVJJUAL-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide

N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide (PubChem CID 81004240) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide
PubChem CID81004240
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC NameN-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2F)c(Br)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-5-6-12(10(15)7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyPKQKJRGWVJJUAL-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
N-(3-chloro-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62512161
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
N'-(2-bromo-4-methylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500869
N-(2,4-dibromophenyl)-2,3-difluorobenzamide
CID 55099912
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718
N-(2-bromo-4-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384019

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide (CID 81004240) is N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide is Cc1ccc(NC(=O)c2cccc(Cl)c2F)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide?
The InChIKey is PKQKJRGWVJJUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-5-6-12(10(15)7-8)18-14(19)9-3-2-4-11(16)13(9)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide?
N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 81004240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).