N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide

C15H12BrF2NO — CID 8759706

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1Br
InChIInChI=1S/C15H12BrF2NO/c1-9(13-4-2-3-5-14(13)16)19-15(20)10-6-11(17)8-12(18)7-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyACKKASYLNXQHOK-VIFPVBQESA-N
MW340.17 g/mol
LogP4.22
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide

N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide (PubChem CID 8759706) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
PubChem CID8759706
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
SMILESC[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1Br
InChIInChI=1S/C15H12BrF2NO/c1-9(13-4-2-3-5-14(13)16)19-15(20)10-6-11(17)8-12(18)7-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1
InChIKeyACKKASYLNXQHOK-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

4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(chloromethyl)benzamide
CID 81383110
4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[(1S)-1-(2-bromophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9220088
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide (CID 8759706) is N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide is C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide?
The InChIKey is ACKKASYLNXQHOK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12BrF2NO/c1-9(13-4-2-3-5-14(13)16)19-15(20)10-6-11(17)8-12(18)7-10/h2-9H,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-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-(2-bromophenyl)ethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 8759706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).