(2-carbamoylphenyl) acetate;2-hydroxybenzoic acid

C16H15NO6 — CID 6453966

IUPAC(2-carbamoylphenyl) acetate;2-hydroxybenzoic acid
SMILESCC(=O)Oc1ccccc1C(N)=O.O=C(O)c1ccccc1O
InChIInChI=1S/C9H9NO3.C7H6O3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12;8-6-4-2-1-3-5(6)7(9)10/h2-5H,1H3,(H2,10,12);1-4,8H,(H,9,10)
InChIKeyAUIDSEAJRPFDDH-UHFFFAOYSA-N
MW317.30 g/mol
LogP1.80
Rot. Bonds3

About (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid

(2-carbamoylphenyl) acetate;2-hydroxybenzoic acid (PubChem CID 6453966) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid.

Molecular Properties

Compound Name(2-carbamoylphenyl) acetate;2-hydroxybenzoic acid
PubChem CID6453966
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name(2-carbamoylphenyl) acetate;2-hydroxybenzoic acid
SMILESCC(=O)Oc1ccccc1C(N)=O.O=C(O)c1ccccc1O
InChIInChI=1S/C9H9NO3.C7H6O3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12;8-6-4-2-1-3-5(6)7(9)10/h2-5H,1H3,(H2,10,12);1-4,8H,(H,9,10)
InChIKeyAUIDSEAJRPFDDH-UHFFFAOYSA-N
XLogP1.80
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
dipotassium;2-acetyloxybenzoate;2-acetyloxybenzoic acid;hydrogen carbonate
CID 21285853
2-hydroxybenzoic acid;methyl acetate
CID 157381538
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
calcium;2-acetyloxybenzoate;urea
CID 23618458
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
2-acetyloxybenzoic acid;(E)-but-2-enedioic acid
CID 135328306
CID 67770189
CID 67770189
CID 67784645
CID 67784645
sodium;2-acetyloxybenzoate;carbonic acid
CID 66790092

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid?
The IUPAC name of (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid (CID 6453966) is (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid.
What is the SMILES notation for (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid?
The canonical SMILES for (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid is CC(=O)Oc1ccccc1C(N)=O.O=C(O)c1ccccc1O.
What is the InChIKey of (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid?
The InChIKey is AUIDSEAJRPFDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3.C7H6O3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12;8-6-4-2-1-3-5(6)7(9)10/h2-5H,1H3,(H2,10,12);1-4,8H,(H,9,10).
What are the key properties of (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid?
(2-carbamoylphenyl) acetate;2-hydroxybenzoic acid has a molecular weight of 317.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl) acetate;2-hydroxybenzoic acid is sourced from PubChem (CID 6453966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).