N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide

C14H9BrClF2NO — CID 103842699

IUPACN-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H9BrClF2NO/c1-7-2-3-8(16)4-9(7)14(20)19-13-6-11(17)10(15)5-12(13)18/h2-6H,1H3,(H,19,20)
InChIKeyAVMKYEIXDCHISI-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.94
Rot. Bonds2

About N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide

N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide (PubChem CID 103842699) has the molecular formula C14H9BrClF2NO and a molecular weight of 360.59 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
PubChem CID103842699
Molecular FormulaC14H9BrClF2NO
Molecular Weight360.59 g/mol
Exact Mass358.95
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H9BrClF2NO/c1-7-2-3-8(16)4-9(7)14(20)19-13-6-11(17)10(15)5-12(13)18/h2-6H,1H3,(H,19,20)
InChIKeyAVMKYEIXDCHISI-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
N-(4-bromo-2,5-difluorophenyl)-4-methyl-2-(methylamino)benzamide
CID 107616577
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
CID 107028630
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide (CID 103842699) is N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide?
The InChIKey is AVMKYEIXDCHISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO/c1-7-2-3-8(16)4-9(7)14(20)19-13-6-11(17)10(15)5-12(13)18/h2-6H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide?
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide has a molecular weight of 360.59 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide is sourced from PubChem (CID 103842699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).