N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide

C15H12BrClFNO — CID 107583887

IUPACN-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCc1cc(Br)cc(NC(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H12BrClFNO/c1-9-5-10(16)7-11(6-9)19-15(20)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyPONBROLCSUPIEF-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.73
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide

N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 107583887) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID107583887
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCc1cc(Br)cc(NC(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H12BrClFNO/c1-9-5-10(16)7-11(6-9)19-15(20)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3,(H,19,20)
InChIKeyPONBROLCSUPIEF-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 60795091
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114307357
N-(2-amino-4,6-dibromophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 43548456
(2-chloro-6-fluorophenyl)methyl-[2-(3,5-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2657931
2-(2-chloro-6-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7925070
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933
2-(2-chloro-6-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 35332134

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide (CID 107583887) is N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide is Cc1cc(Br)cc(NC(=O)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is PONBROLCSUPIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9-5-10(16)7-11(6-9)19-15(20)8-12-13(17)3-2-4-14(12)18/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide?
N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 356.62 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 107583887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).