2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide

C9H7ClN2O2 — CID 89084305

IUPAC2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide
SMILESN#Cc1ccc(O)c(NC(=O)CCl)c1
InChIInChI=1S/C9H7ClN2O2/c10-4-9(14)12-7-3-6(5-11)1-2-8(7)13/h1-3,13H,4H2,(H,12,14)
InChIKeyPFLIGMBFVYWOAR-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.44
Rot. Bonds2

About 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide

2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide (PubChem CID 89084305) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide
PubChem CID89084305
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide
SMILESN#Cc1ccc(O)c(NC(=O)CCl)c1
InChIInChI=1S/C9H7ClN2O2/c10-4-9(14)12-7-3-6(5-11)1-2-8(7)13/h1-3,13H,4H2,(H,12,14)
InChIKeyPFLIGMBFVYWOAR-UHFFFAOYSA-N
XLogP1.44
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.44
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
CID 66521938
N-[5-cyano-2-(propylamino)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 71980635
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
2-chloro-N-[5-cyano-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]acetamide
CID 139836237
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 58230860
4-chloro-N-(4-cyano-2-methylphenyl)butanamide
CID 25155549
N-(5-cyano-2-hydroxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 71979949
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
N-(5-cyano-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602590
2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 45273664
N-(5-cyano-2-hydroxyphenyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 75391557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide (CID 89084305) is 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide is N#Cc1ccc(O)c(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide?
The InChIKey is PFLIGMBFVYWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-4-9(14)12-7-3-6(5-11)1-2-8(7)13/h1-3,13H,4H2,(H,12,14).
What are the key properties of 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide?
2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide has a molecular weight of 210.62 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 89084305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).