methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate

C10H10ClNO4 — CID 83300739

IUPACmethyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)CCl)cc1O
InChIInChI=1S/C10H10ClNO4/c1-16-10(15)7-3-2-6(4-8(7)13)12-9(14)5-11/h2-4,13H,5H2,1H3,(H,12,14)
InChIKeyIJUAAMSFNGESFS-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.36
Rot. Bonds3

About methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate

methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate (PubChem CID 83300739) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
PubChem CID83300739
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Namemethyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)CCl)cc1O
InChIInChI=1S/C10H10ClNO4/c1-16-10(15)7-3-2-6(4-8(7)13)12-9(14)5-11/h2-4,13H,5H2,1H3,(H,12,14)
InChIKeyIJUAAMSFNGESFS-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810
methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
CID 139715221
methyl 4-(3-chloroprop-1-enyl)-2-hydroxybenzoate
CID 169477870
methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
CID 43701749
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506
methyl 4-[3-[(3-acetylphenyl)sulfonylamino]propanoylamino]-2-hydroxybenzoate
CID 166332920
acetyl 4-acetamido-2-hydroxybenzoate
CID 88771409
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 3-[(2-chloroacetyl)amino]-4-hydroxybenzoate
CID 66521938
methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
CID 139715310
methyl 2-chloro-5-(4-chlorobutanoylamino)benzoate
CID 55204060

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate?
The IUPAC name of methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate (CID 83300739) is methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate is COC(=O)c1ccc(NC(=O)CCl)cc1O.
What is the InChIKey of methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate?
The InChIKey is IJUAAMSFNGESFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-16-10(15)7-3-2-6(4-8(7)13)12-9(14)5-11/h2-4,13H,5H2,1H3,(H,12,14).
What are the key properties of methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate?
methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate has a molecular weight of 243.65 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate is sourced from PubChem (CID 83300739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).