N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide

C14H10BrClFNO — CID 80711881

IUPACN-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Br)ccc2Cl)c1F
InChIInChI=1S/C14H10BrClFNO/c1-8-3-2-4-10(13(8)17)14(19)18-12-7-9(15)5-6-11(12)16/h2-7H,1H3,(H,18,19)
InChIKeyFJGHBZCJLOMQOZ-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide

N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide (PubChem CID 80711881) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
PubChem CID80711881
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Br)ccc2Cl)c1F
InChIInChI=1S/C14H10BrClFNO/c1-8-3-2-4-10(13(8)17)14(19)18-12-7-9(15)5-6-11(12)16/h2-7H,1H3,(H,18,19)
InChIKeyFJGHBZCJLOMQOZ-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-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125
5-amino-N-(5-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102705529
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
N-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide (CID 80711881) is N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Br)ccc2Cl)c1F.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is FJGHBZCJLOMQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-3-2-4-10(13(8)17)14(19)18-12-7-9(15)5-6-11(12)16/h2-7H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide?
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide 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-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80711881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).