4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide

C15H14N2O3 — CID 70334005

IUPAC4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
SMILESCc1cccc(C(=O)Nc2cc(C(N)=O)ccc2O)c1
InChIInChI=1S/C15H14N2O3/c1-9-3-2-4-11(7-9)15(20)17-12-8-10(14(16)19)5-6-13(12)18/h2-8,18H,1H3,(H2,16,19)(H,17,20)
InChIKeyLEADKHHFVKDETF-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.05
Rot. Bonds3

About 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide

4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide (PubChem CID 70334005) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
PubChem CID70334005
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
SMILESCc1cccc(C(=O)Nc2cc(C(N)=O)ccc2O)c1
InChIInChI=1S/C15H14N2O3/c1-9-3-2-4-11(7-9)15(20)17-12-8-10(14(16)19)5-6-13(12)18/h2-8,18H,1H3,(H2,16,19)(H,17,20)
InChIKeyLEADKHHFVKDETF-UHFFFAOYSA-N
XLogP2.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide?
The IUPAC name of 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide (CID 70334005) is 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide.
What is the SMILES notation for 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide?
The canonical SMILES for 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide is Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2O)c1.
What is the InChIKey of 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide?
The InChIKey is LEADKHHFVKDETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-3-2-4-11(7-9)15(20)17-12-8-10(14(16)19)5-6-13(12)18/h2-8,18H,1H3,(H2,16,19)(H,17,20).
What are the key properties of 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide?
4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide has a molecular weight of 270.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 70334005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).