methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate

C16H15NO4 — CID 108768071

IUPACmethyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2ccccc2)c1O
InChIInChI=1S/C16H15NO4/c1-21-16(20)12-8-5-9-13(15(12)19)17-14(18)10-11-6-3-2-4-7-11/h2-9,19H,10H2,1H3,(H,17,18)
InChIKeyPONGGACAJJKXJS-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate

methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate (PubChem CID 108768071) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
PubChem CID108768071
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2ccccc2)c1O
InChIInChI=1S/C16H15NO4/c1-21-16(20)12-8-5-9-13(15(12)19)17-14(18)10-11-6-3-2-4-7-11/h2-9,19H,10H2,1H3,(H,17,18)
InChIKeyPONGGACAJJKXJS-UHFFFAOYSA-N
XLogP2.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 2-hydroxy-3-(3-methylbutanoylamino)benzoate
CID 108768054
methyl 3-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-hydroxybenzoate
CID 56543969
methyl 3-[3-(2-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 56543246
methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543416
methyl 2-[4-[(2-phenylacetyl)amino]anilino]benzoate
CID 112988435
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 23354625
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543383
methyl 3-[3-(4-chlorophenyl)propanoylamino]-2-hydroxybenzoate
CID 108745784
methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
CID 56576232

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate (CID 108768071) is methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2ccccc2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate?
The InChIKey is PONGGACAJJKXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-16(20)12-8-5-9-13(15(12)19)17-14(18)10-11-6-3-2-4-7-11/h2-9,19H,10H2,1H3,(H,17,18).
What are the key properties of methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate?
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 108768071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).