5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide

C15H13BrClNO2 — CID 103600185

IUPAC5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO2/c1-9(10-2-5-12(17)6-3-10)18-15(20)13-8-11(16)4-7-14(13)19/h2-9,19H,1H3,(H,18,20)
InChIKeyZYFMLZCNDKKMHE-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.30
Rot. Bonds3

About 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide

5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide (PubChem CID 103600185) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
PubChem CID103600185
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO2/c1-9(10-2-5-12(17)6-3-10)18-15(20)13-8-11(16)4-7-14(13)19/h2-9,19H,1H3,(H,18,20)
InChIKeyZYFMLZCNDKKMHE-UHFFFAOYSA-N
XLogP4.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857031
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103604669
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 55582791
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide (CID 103600185) is 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide is CC(NC(=O)c1cc(Br)ccc1O)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide?
The InChIKey is ZYFMLZCNDKKMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9(10-2-5-12(17)6-3-10)18-15(20)13-8-11(16)4-7-14(13)19/h2-9,19H,1H3,(H,18,20).
What are the key properties of 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide?
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide has a molecular weight of 354.63 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 103600185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).