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

C15H12Br2FNO — CID 46582103

IUPAC5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2FNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,19,20)
InChIKeyHIXUJACCUDHFPI-UHFFFAOYSA-N
MW401.07 g/mol
LogP4.84
Rot. Bonds3

About 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide

5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide (PubChem CID 46582103) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
PubChem CID46582103
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C15H12Br2FNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,19,20)
InChIKeyHIXUJACCUDHFPI-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-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 43297640
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 64949894
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide (CID 46582103) is 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide is CC(NC(=O)c1cc(Br)ccc1F)c1cccc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is HIXUJACCUDHFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide?
5-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 5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 46582103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).