N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide

C15H12BrClFNO — CID 47097751

IUPACN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFNO/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-7-6-12(18)8-14(13)17/h2-9H,1H3,(H,19,20)
InChIKeyDUCIWNIIFIHDBM-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.73
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide (PubChem CID 47097751) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
PubChem CID47097751
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFNO/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-7-6-12(18)8-14(13)17/h2-9H,1H3,(H,19,20)
InChIKeyDUCIWNIIFIHDBM-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55915530
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
N-[(1R)-1-(4-bromophenyl)ethyl]-2-chloro-4-nitrobenzamide
CID 8752391
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-fluorobenzamide
CID 18114854
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide (CID 47097751) is N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide?
The InChIKey is DUCIWNIIFIHDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-7-6-12(18)8-14(13)17/h2-9H,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide?
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 47097751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).