N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide

C15H12BrClFNO — CID 90078267

IUPACN-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide
SMILESCc1cc(Br)ccc1CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H12BrClFNO/c1-9-7-11(16)6-5-10(9)8-19-15(20)14-12(17)3-2-4-13(14)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyOKKIKHWKFUAPSP-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.48
Rot. Bonds3

About N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide

N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide (PubChem CID 90078267) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide
PubChem CID90078267
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide
SMILESCc1cc(Br)ccc1CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H12BrClFNO/c1-9-7-11(16)6-5-10(9)8-19-15(20)14-12(17)3-2-4-13(14)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyOKKIKHWKFUAPSP-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide (CID 90078267) is N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide is Cc1cc(Br)ccc1CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide?
The InChIKey is OKKIKHWKFUAPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9-7-11(16)6-5-10(9)8-19-15(20)14-12(17)3-2-4-13(14)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide?
N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)methyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 90078267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).