methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate

C10H10ClNO4 — CID 50989106

IUPACmethyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(NC(=O)CCl)c1O
InChIInChI=1S/C10H10ClNO4/c1-16-10(15)6-3-2-4-7(9(6)14)12-8(13)5-11/h2-4,14H,5H2,1H3,(H,12,13)
InChIKeyCRHWVLRCALYRQO-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.36
Rot. Bonds3

About methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate

methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate (PubChem CID 50989106) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
PubChem CID50989106
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Namemethyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(NC(=O)CCl)c1O
InChIInChI=1S/C10H10ClNO4/c1-16-10(15)6-3-2-4-7(9(6)14)12-8(13)5-11/h2-4,14H,5H2,1H3,(H,12,13)
InChIKeyCRHWVLRCALYRQO-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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-hydroxybenzoic acid;methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 160717436
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methyl 2-hydroxy-3-(3-methylbutanoylamino)benzoate
CID 108768054
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
methyl 3-[3-(4-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 108745784
methyl 3-[3-(2-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 56543246
methyl 3-(2,2-dimethylpropanoylamino)-2-hydroxybenzoate
CID 23520841
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543383
methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543416
methyl 2-hydroxy-3-(methanesulfonamido)benzoate
CID 108783737
methyl 3-(butoxycarbonylamino)-2-hydroxybenzoate
CID 108745812
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxybenzoate
CID 56577397

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate (CID 50989106) is methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate is COC(=O)c1cccc(NC(=O)CCl)c1O.
What is the InChIKey of methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate?
The InChIKey is CRHWVLRCALYRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-16-10(15)6-3-2-4-7(9(6)14)12-8(13)5-11/h2-4,14H,5H2,1H3,(H,12,13).
What are the key properties of methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate?
methyl 3-[(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 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate is sourced from PubChem (CID 50989106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).