N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide

C15H13BrFNO2 — CID 107015012

IUPACN-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(F)cc1O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-9(10-3-2-4-11(16)7-10)18-15(20)13-6-5-12(17)8-14(13)19/h2-9,19H,1H3,(H,18,20)
InChIKeyJBWUYOBWWMWFMO-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide

N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 107015012) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
PubChem CID107015012
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(F)cc1O)c1cccc(Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-9(10-3-2-4-11(16)7-10)18-15(20)13-6-5-12(17)8-14(13)19/h2-9,19H,1H3,(H,18,20)
InChIKeyJBWUYOBWWMWFMO-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
2-bromo-4-fluoro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 51206122
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 107025551
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide (CID 107015012) is N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide is CC(NC(=O)c1ccc(F)cc1O)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is JBWUYOBWWMWFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9(10-3-2-4-11(16)7-10)18-15(20)13-6-5-12(17)8-14(13)19/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide?
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 107015012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).