5-benzamidooxycarbonyl-2-methylbenzoic acid

C16H13NO5 — CID 174695759

IUPAC5-benzamidooxycarbonyl-2-methylbenzoic acid
SMILESCc1ccc(C(=O)ONC(=O)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H13NO5/c1-10-7-8-12(9-13(10)15(19)20)16(21)22-17-14(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyXZQCAZLJCWLJAP-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.20
Rot. Bonds3

About 5-benzamidooxycarbonyl-2-methylbenzoic acid

5-benzamidooxycarbonyl-2-methylbenzoic acid (PubChem CID 174695759) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 5-benzamidooxycarbonyl-2-methylbenzoic acid.

Molecular Properties

Compound Name5-benzamidooxycarbonyl-2-methylbenzoic acid
PubChem CID174695759
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name5-benzamidooxycarbonyl-2-methylbenzoic acid
SMILESCc1ccc(C(=O)ONC(=O)c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H13NO5/c1-10-7-8-12(9-13(10)15(19)20)16(21)22-17-14(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,20)
InChIKeyXZQCAZLJCWLJAP-UHFFFAOYSA-N
XLogP2.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzamido 2-methylbenzoate
CID 5260358
4-methylbenzene-1,3-dicarboxylic acid;phthalic acid
CID 162069170
4-methylbenzene-1,3-dicarboxylic acid;1-phenylethanone
CID 174537514
CID 162313209
CID 162313209
cyclohexane;4-methylbenzene-1,3-dicarboxylic acid
CID 174566305
benzamido acetate;ethane
CID 91379738
ethane;4-methoxycarbonylphthalic acid
CID 143938031
4-methylbenzene-1,3-dicarboxylic acid;oxaldehyde
CID 174429054
4-(2-methylbenzoyl)phthalic acid
CID 22362607
[[4-(benzoyloxycarbamoyl)furan-3-carbonyl]amino] benzoate
CID 569419
ethyl benzoate;phthalic acid
CID 159584831
benzamido 2-chloroacetate
CID 172559577

Frequently Asked Questions

What is the IUPAC name of 5-benzamidooxycarbonyl-2-methylbenzoic acid?
The IUPAC name of 5-benzamidooxycarbonyl-2-methylbenzoic acid (CID 174695759) is 5-benzamidooxycarbonyl-2-methylbenzoic acid.
What is the SMILES notation for 5-benzamidooxycarbonyl-2-methylbenzoic acid?
The canonical SMILES for 5-benzamidooxycarbonyl-2-methylbenzoic acid is Cc1ccc(C(=O)ONC(=O)c2ccccc2)cc1C(=O)O.
What is the InChIKey of 5-benzamidooxycarbonyl-2-methylbenzoic acid?
The InChIKey is XZQCAZLJCWLJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-10-7-8-12(9-13(10)15(19)20)16(21)22-17-14(18)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-benzamidooxycarbonyl-2-methylbenzoic acid?
5-benzamidooxycarbonyl-2-methylbenzoic acid has a molecular weight of 299.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamidooxycarbonyl-2-methylbenzoic acid is sourced from PubChem (CID 174695759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).