N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide

C15H12BrF2NO — CID 26072463

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
SMILESC[C@H](NC(=O)c1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrF2NO/c1-9(10-5-7-11(16)8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyAKELBAUMZPVFIH-VIFPVBQESA-N
MW340.17 g/mol
LogP4.22
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide (PubChem CID 26072463) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
PubChem CID26072463
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
SMILESC[C@H](NC(=O)c1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrF2NO/c1-9(10-5-7-11(16)8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyAKELBAUMZPVFIH-VIFPVBQESA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-6-fluorobenzamide
CID 115678201
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239
1-[(1R)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 58762667
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide (CID 26072463) is N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide is C[C@H](NC(=O)c1c(F)cccc1F)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide?
The InChIKey is AKELBAUMZPVFIH-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-9(10-5-7-11(16)8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide has a molecular weight of 340.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 26072463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).