benzamido 2-methylbenzoate

C15H13NO3 — CID 5260358

IUPACbenzamido 2-methylbenzoate
SMILESCc1ccccc1C(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C15H13NO3/c1-11-7-5-6-10-13(11)15(18)19-16-14(17)12-8-3-2-4-9-12/h2-10H,1H3,(H,16,17)
InChIKeyVNPTWULTJSBAPQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.50
Rot. Bonds2

About benzamido 2-methylbenzoate

benzamido 2-methylbenzoate (PubChem CID 5260358) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is benzamido 2-methylbenzoate.

Molecular Properties

Compound Namebenzamido 2-methylbenzoate
PubChem CID5260358
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namebenzamido 2-methylbenzoate
SMILESCc1ccccc1C(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C15H13NO3/c1-11-7-5-6-10-13(11)15(18)19-16-14(17)12-8-3-2-4-9-12/h2-10H,1H3,(H,16,17)
InChIKeyVNPTWULTJSBAPQ-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzamidooxycarbonyl-2-methylbenzoic acid
CID 174695759
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
benzamido acetate;ethane
CID 91379738
ethane;methane;methyl 2-methylbenzoate
CID 168902289
bis[(2-methylbenzoyl)peroxy]phosphoryl 2-methylbenzenecarboperoxoate
CID 87127144
[(E)-2-benzoyloxy-1,2-bis(2-methylphenyl)ethenyl] benzoate
CID 134263023
benzamido 2-methyl-2-phenylpropanoate
CID 174594755
N-(trideuteriomethoxy)benzamide
CID 156666829
benzamido thiophene-2-carboxylate
CID 2804175
bromo 2-methylbenzoate
CID 67185739
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
phosphono 2-methylbenzoate
CID 66728080

Frequently Asked Questions

What is the IUPAC name of benzamido 2-methylbenzoate?
The IUPAC name of benzamido 2-methylbenzoate (CID 5260358) is benzamido 2-methylbenzoate.
What is the SMILES notation for benzamido 2-methylbenzoate?
The canonical SMILES for benzamido 2-methylbenzoate is Cc1ccccc1C(=O)ONC(=O)c1ccccc1.
What is the InChIKey of benzamido 2-methylbenzoate?
The InChIKey is VNPTWULTJSBAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11-7-5-6-10-13(11)15(18)19-16-14(17)12-8-3-2-4-9-12/h2-10H,1H3,(H,16,17).
What are the key properties of benzamido 2-methylbenzoate?
benzamido 2-methylbenzoate has a molecular weight of 255.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido 2-methylbenzoate is sourced from PubChem (CID 5260358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).