2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide

C14H9BrClF2NO — CID 82889504

IUPAC2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2c(F)cc(F)cc2Cl)c1
InChIInChI=1S/C14H9BrClF2NO/c1-7-2-3-10(15)9(4-7)14(20)19-13-11(16)5-8(17)6-12(13)18/h2-6H,1H3,(H,19,20)
InChIKeyNHGMUPMTVCCEMZ-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.94
Rot. Bonds2

About 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide

2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide (PubChem CID 82889504) has the molecular formula C14H9BrClF2NO and a molecular weight of 360.59 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
PubChem CID82889504
Molecular FormulaC14H9BrClF2NO
Molecular Weight360.59 g/mol
Exact Mass358.95
IUPAC Name2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2c(F)cc(F)cc2Cl)c1
InChIInChI=1S/C14H9BrClF2NO/c1-7-2-3-10(15)9(4-7)14(20)19-13-11(16)5-8(17)6-12(13)18/h2-6H,1H3,(H,19,20)
InChIKeyNHGMUPMTVCCEMZ-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

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Related Compounds

2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
N-(2-bromo-4,6-difluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62510189
5-amino-2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzamide
CID 107608774
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
5-chloro-N-(2-chloro-4,6-difluorophenyl)furan-2-carboxamide
CID 113343811
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide (CID 82889504) is 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2c(F)cc(F)cc2Cl)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide?
The InChIKey is NHGMUPMTVCCEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO/c1-7-2-3-10(15)9(4-7)14(20)19-13-11(16)5-8(17)6-12(13)18/h2-6H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide?
2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-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 2-bromo-N-(2-chloro-4,6-difluorophenyl)-5-methylbenzamide is sourced from PubChem (CID 82889504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).