3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide

C15H12Br2FNO — CID 107951327

IUPAC3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1F)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2FNO/c1-9(10-4-2-5-11(16)8-10)19-15(20)12-6-3-7-13(17)14(12)18/h2-9H,1H3,(H,19,20)
InChIKeyHQEPBUJLCXONHJ-UHFFFAOYSA-N
MW401.07 g/mol
LogP4.84
Rot. Bonds3

About 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide

3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide (PubChem CID 107951327) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
PubChem CID107951327
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1F)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2FNO/c1-9(10-4-2-5-11(16)8-10)19-15(20)12-6-3-7-13(17)14(12)18/h2-9H,1H3,(H,19,20)
InChIKeyHQEPBUJLCXONHJ-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.07
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296176
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 64949894
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
CID 81381793
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide (CID 107951327) is 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1cccc(Br)c1F)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is HQEPBUJLCXONHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c1-9(10-4-2-5-11(16)8-10)19-15(20)12-6-3-7-13(17)14(12)18/h2-9H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide?
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 401.07 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 107951327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).