N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide

C16H13BrFNO2 — CID 156879941

IUPACN-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(Br)c(C)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13BrFNO2/c1-9-7-13(15(8-14(9)17)19-10(2)20)16(21)11-3-5-12(18)6-4-11/h3-8H,1-2H3,(H,19,20)
InChIKeyZKYGHFKYOVPKCO-UHFFFAOYSA-N
MW350.19 g/mol
LogP4.09
Rot. Bonds3

About N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide

N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide (PubChem CID 156879941) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide
PubChem CID156879941
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC NameN-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(Br)c(C)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13BrFNO2/c1-9-7-13(15(8-14(9)17)19-10(2)20)16(21)11-3-5-12(18)6-4-11/h3-8H,1-2H3,(H,19,20)
InChIKeyZKYGHFKYOVPKCO-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
CID 79020160
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(4-bromo-2,5-dimethylphenyl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 123965479
[3-bromo-2-tert-butyl-4-(4-fluorobenzoyl)phenyl]carbamic acid
CID 139484622
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(2-bromo-4-fluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210074
3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 922091

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide?
The IUPAC name of N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide (CID 156879941) is N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide?
The canonical SMILES for N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide is CC(=O)Nc1cc(Br)c(C)cc1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide?
The InChIKey is ZKYGHFKYOVPKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-9-7-13(15(8-14(9)17)19-10(2)20)16(21)11-3-5-12(18)6-4-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide?
N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide has a molecular weight of 350.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 156879941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).