4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide

C16H15BrFNO2 — CID 78987865

IUPAC4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C16H15BrFNO2/c1-10(11-4-3-5-13(18)8-11)19-16(20)14-7-6-12(17)9-15(14)21-2/h3-10H,1-2H3,(H,19,20)
InChIKeyDASFEXOYBQQIAZ-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.09
Rot. Bonds4

About 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide

4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide (PubChem CID 78987865) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
PubChem CID78987865
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C16H15BrFNO2/c1-10(11-4-3-5-13(18)8-11)19-16(20)14-7-6-12(17)9-15(14)21-2/h3-10H,1-2H3,(H,19,20)
InChIKeyDASFEXOYBQQIAZ-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide
CID 78924714
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 107025551
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 103601942
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 78987774
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide (CID 78987865) is 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC(C)c1cccc(F)c1.
What is the InChIKey of 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide?
The InChIKey is DASFEXOYBQQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-10(11-4-3-5-13(18)8-11)19-16(20)14-7-6-12(17)9-15(14)21-2/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide?
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 78987865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).