N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide

C16H15BrFNO — CID 45351842

IUPACN-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H15BrFNO/c1-10-3-4-13(9-15(10)18)16(20)19-11(2)12-5-7-14(17)8-6-12/h3-9,11H,1-2H3,(H,19,20)
InChIKeyNYFSZOGFMWYKHW-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide

N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 45351842) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
PubChem CID45351842
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1F
InChIInChI=1S/C16H15BrFNO/c1-10-3-4-13(9-15(10)18)16(20)19-11(2)12-5-7-14(17)8-6-12/h3-9,11H,1-2H3,(H,19,20)
InChIKeyNYFSZOGFMWYKHW-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]benzamide
CID 107952881
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
CID 67105818
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
3-bromo-4-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 81458325
N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide (CID 45351842) is N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cc1F.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is NYFSZOGFMWYKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-10-3-4-13(9-15(10)18)16(20)19-11(2)12-5-7-14(17)8-6-12/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide?
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 4.39, 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]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 45351842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).