N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide

C14H10BrClFNO — CID 104723165

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C14H10BrClFNO/c1-8-6-10(15)13(7-11(8)16)18-14(19)9-4-2-3-5-12(9)17/h2-7H,1H3,(H,18,19)
InChIKeyQDPNMNYXRQXFCI-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide (PubChem CID 104723165) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
PubChem CID104723165
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccccc2F)cc1Cl
InChIInChI=1S/C14H10BrClFNO/c1-8-6-10(15)13(7-11(8)16)18-14(19)9-4-2-3-5-12(9)17/h2-7H,1H3,(H,18,19)
InChIKeyQDPNMNYXRQXFCI-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

N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
5-amino-2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-4-fluorobenzamide
CID 104722210
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 104725128
N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
CID 1233587
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
N-(5-bromo-2,1,3-benzothiadiazol-6-yl)-2-fluorobenzamide
CID 4713731

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide (CID 104723165) is N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide is Cc1cc(Br)c(NC(=O)c2ccccc2F)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide?
The InChIKey is QDPNMNYXRQXFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-6-10(15)13(7-11(8)16)18-14(19)9-4-2-3-5-12(9)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide?
N-(2-bromo-5-chloro-4-methylphenyl)-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-5-chloro-4-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 104723165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).