methyl 3-benzamidobenzoate

C15H13NO3 — CID 730618

IUPACmethyl 3-benzamidobenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO3/c1-19-15(18)12-8-5-9-13(10-12)16-14(17)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17)
InChIKeyMPJVYKKPZALMPX-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.73
Rot. Bonds3

About methyl 3-benzamidobenzoate

methyl 3-benzamidobenzoate (PubChem CID 730618) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 3-benzamidobenzoate.

Molecular Properties

Compound Namemethyl 3-benzamidobenzoate
PubChem CID730618
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-benzamidobenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H13NO3/c1-19-15(18)12-8-5-9-13(10-12)16-14(17)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17)
InChIKeyMPJVYKKPZALMPX-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N-methylanthranilate
CID 6826
Ethyl 3-aminobenzoate
CID 11400
Methyl n-acetylanthranilate
CID 17623
Methyl n-formylanthranilate
CID 162458
Phthalanilic acid
CID 78458
2-(Benzoylamino)benzoic acid
CID 68482
N-Benzoylanthranilate
CID 5091716
Ufenamate
CID 5632
Acetrizoate Sodium
CID 23665874
3'-Methylphthalanilic acid
CID 6821
Ethyl 4-(benzoylamino)benzoate
CID 12914
2-((3-Carboxyphenyl)amino)benzoic acid
CID 97298

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzamidobenzoate?
The IUPAC name of methyl 3-benzamidobenzoate (CID 730618) is methyl 3-benzamidobenzoate.
What is the SMILES notation for methyl 3-benzamidobenzoate?
The canonical SMILES for methyl 3-benzamidobenzoate is COC(=O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of methyl 3-benzamidobenzoate?
The InChIKey is MPJVYKKPZALMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15(18)12-8-5-9-13(10-12)16-14(17)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17).
What are the key properties of methyl 3-benzamidobenzoate?
methyl 3-benzamidobenzoate has a molecular weight of 255.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzamidobenzoate is sourced from PubChem (CID 730618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).