methyl 3-[(3-phenylbenzoyl)amino]benzoate

C21H17NO3 — CID 71455734

IUPACmethyl 3-[(3-phenylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C21H17NO3/c1-25-21(24)18-11-6-12-19(14-18)22-20(23)17-10-5-9-16(13-17)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,23)
InChIKeyUSLGUOXMEINOEY-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.39
Rot. Bonds4

About methyl 3-[(3-phenylbenzoyl)amino]benzoate

methyl 3-[(3-phenylbenzoyl)amino]benzoate (PubChem CID 71455734) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 3-[(3-phenylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-phenylbenzoyl)amino]benzoate
PubChem CID71455734
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Namemethyl 3-[(3-phenylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C21H17NO3/c1-25-21(24)18-11-6-12-19(14-18)22-20(23)17-10-5-9-16(13-17)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,23)
InChIKeyUSLGUOXMEINOEY-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-phenylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(3-phenylbenzoyl)amino]benzoate (CID 71455734) is methyl 3-[(3-phenylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-phenylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(3-phenylbenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of methyl 3-[(3-phenylbenzoyl)amino]benzoate?
The InChIKey is USLGUOXMEINOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-25-21(24)18-11-6-12-19(14-18)22-20(23)17-10-5-9-16(13-17)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,23).
What are the key properties of methyl 3-[(3-phenylbenzoyl)amino]benzoate?
methyl 3-[(3-phenylbenzoyl)amino]benzoate has a molecular weight of 331.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-phenylbenzoyl)amino]benzoate is sourced from PubChem (CID 71455734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).