N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide

C18H16BrF2NO2 — CID 11257965

IUPACN-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide
SMILESCC(=O)NC(CCC(=O)c1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrF2NO2/c1-11(23)22-16(12-5-7-13(19)8-6-12)9-10-17(24)18-14(20)3-2-4-15(18)21/h2-8,16H,9-10H2,1H3,(H,22,23)
InChIKeyMHLNZFGTFPTCDY-UHFFFAOYSA-N
MW396.23 g/mol
LogP4.57
Rot. Bonds6

About N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide

N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide (PubChem CID 11257965) has the molecular formula C18H16BrF2NO2 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide
PubChem CID11257965
Molecular FormulaC18H16BrF2NO2
Molecular Weight396.23 g/mol
Exact Mass395.03
IUPAC NameN-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide
SMILESCC(=O)NC(CCC(=O)c1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrF2NO2/c1-11(23)22-16(12-5-7-13(19)8-6-12)9-10-17(24)18-14(20)3-2-4-15(18)21/h2-8,16H,9-10H2,1H3,(H,22,23)
InChIKeyMHLNZFGTFPTCDY-UHFFFAOYSA-N
XLogP4.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bromadoline
CID 54753
3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
CID 2798239
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
3-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914829
n-Benzyl-4-bromobenzamide
CID 781117
3-bromo-N-(3-phenylpropyl)benzamide
CID 2169887
4-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2914288
2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 821124
4-bromo-N-(4-phenylbutyl)benzamide
CID 2057443
4-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2903019
2-fluoro-N-(4-phenylbutan-2-yl)benzamide
CID 2915993

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide (CID 11257965) is N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide is CC(=O)NC(CCC(=O)c1c(F)cccc1F)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide?
The InChIKey is MHLNZFGTFPTCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2NO2/c1-11(23)22-16(12-5-7-13(19)8-6-12)9-10-17(24)18-14(20)3-2-4-15(18)21/h2-8,16H,9-10H2,1H3,(H,22,23).
What are the key properties of N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide?
N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide has a molecular weight of 396.23 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-4-(2,6-difluorophenyl)-4-oxobutyl]acetamide is sourced from PubChem (CID 11257965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).