5-(2-chloroacetyl)-2-hydroxybenzamide

C9H8ClNO3 — CID 12595689

IUPAC5-(2-chloroacetyl)-2-hydroxybenzamide
SMILESNC(=O)c1cc(C(=O)CCl)ccc1O
InChIInChI=1S/C9H8ClNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)
InChIKeyJPCLWVZHYTUYON-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.91
Rot. Bonds3

About 5-(2-chloroacetyl)-2-hydroxybenzamide

5-(2-chloroacetyl)-2-hydroxybenzamide (PubChem CID 12595689) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 5-(2-chloroacetyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(2-chloroacetyl)-2-hydroxybenzamide
PubChem CID12595689
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name5-(2-chloroacetyl)-2-hydroxybenzamide
SMILESNC(=O)c1cc(C(=O)CCl)ccc1O
InChIInChI=1S/C9H8ClNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)
InChIKeyJPCLWVZHYTUYON-UHFFFAOYSA-N
XLogP0.91
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
CID 174726274
CID 174726274
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269
5-(4-chlorobut-1-enyl)-2-hydroxybenzamide
CID 170499566
2-hydroxy-5-[2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]benzamide
CID 13424634
2-chloro-1-[3-hydroxy-4-(trifluoromethoxy)phenyl]ethanone
CID 170998251
2-hydroxy-5-nitrosobenzamide
CID 13376420
4-hydroxybenzene-1,3-dicarbohydrazide
CID 13149470
2,5-dihydroxybenzamide;octane
CID 68597102
3-chloro-4-hydroxybenzamide
CID 22932347
[4-(2-chloroacetyl)phenyl] carbamate
CID 118695962
2-hydroxy-5-[3-(4-methylphenyl)prop-2-enoyl]benzamide
CID 174963027

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroacetyl)-2-hydroxybenzamide?
The IUPAC name of 5-(2-chloroacetyl)-2-hydroxybenzamide (CID 12595689) is 5-(2-chloroacetyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-(2-chloroacetyl)-2-hydroxybenzamide?
The canonical SMILES for 5-(2-chloroacetyl)-2-hydroxybenzamide is NC(=O)c1cc(C(=O)CCl)ccc1O.
What is the InChIKey of 5-(2-chloroacetyl)-2-hydroxybenzamide?
The InChIKey is JPCLWVZHYTUYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14).
What are the key properties of 5-(2-chloroacetyl)-2-hydroxybenzamide?
5-(2-chloroacetyl)-2-hydroxybenzamide has a molecular weight of 213.62 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroacetyl)-2-hydroxybenzamide is sourced from PubChem (CID 12595689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).