N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide

C10H10ClNO3 — CID 7131311

IUPACN-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)CCl)ccc1O
InChIInChI=1S/C10H10ClNO3/c1-6(13)12-8-4-7(10(15)5-11)2-3-9(8)14/h2-4,14H,5H2,1H3,(H,12,13)
InChIKeyUXSYEGOILSUYOU-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.77
Rot. Bonds3

About N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide

N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide (PubChem CID 7131311) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
PubChem CID7131311
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC NameN-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)CCl)ccc1O
InChIInChI=1S/C10H10ClNO3/c1-6(13)12-8-4-7(10(15)5-11)2-3-9(8)14/h2-4,14H,5H2,1H3,(H,12,13)
InChIKeyUXSYEGOILSUYOU-UHFFFAOYSA-N
XLogP1.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-chloroacetyl)amino]-4-hydroxybenzoate
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[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
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N-[2-hydroxy-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]phenyl]acetamide
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CID 71755478
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
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N-[2-hydroxy-5-[2-(1-propylimidazol-2-yl)sulfanylacetyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide?
The IUPAC name of N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide (CID 7131311) is N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide?
The canonical SMILES for N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide is CC(=O)Nc1cc(C(=O)CCl)ccc1O.
What is the InChIKey of N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide?
The InChIKey is UXSYEGOILSUYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-6(13)12-8-4-7(10(15)5-11)2-3-9(8)14/h2-4,14H,5H2,1H3,(H,12,13).
What are the key properties of N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide?
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide has a molecular weight of 227.65 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide is sourced from PubChem (CID 7131311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).