benzoic acid;2-phenylbenzamide

C20H17NO3 — CID 70205361

IUPACbenzoic acid;2-phenylbenzamide
SMILESNC(=O)c1ccccc1-c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C13H11NO.C7H6O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6/h1-9H,(H2,14,15);1-5H,(H,8,9)
InChIKeyOJSZISCKZCEYEQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.84
Rot. Bonds3

About benzoic acid;2-phenylbenzamide

benzoic acid;2-phenylbenzamide (PubChem CID 70205361) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is benzoic acid;2-phenylbenzamide.

Molecular Properties

Compound Namebenzoic acid;2-phenylbenzamide
PubChem CID70205361
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namebenzoic acid;2-phenylbenzamide
SMILESNC(=O)c1ccccc1-c1ccccc1.O=C(O)c1ccccc1
InChIInChI=1S/C13H11NO.C7H6O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6/h1-9H,(H2,14,15);1-5H,(H,8,9)
InChIKeyOJSZISCKZCEYEQ-UHFFFAOYSA-N
XLogP3.84
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
2-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]benzamide
CID 174694661
2-(4-bromophenyl)benzamide
CID 15982087
2-(4-sulfanylphenyl)benzamide
CID 123865204
2-(4-anilinophenyl)benzamide
CID 174939572
acetylene;2-phenylbenzoic acid
CID 67726329
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
2-(4-carbamimidoylphenyl)benzamide
CID 90947918
benzoic acid tritetrafluoroborate
CID 173117311
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694

Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-phenylbenzamide?
The IUPAC name of benzoic acid;2-phenylbenzamide (CID 70205361) is benzoic acid;2-phenylbenzamide.
What is the SMILES notation for benzoic acid;2-phenylbenzamide?
The canonical SMILES for benzoic acid;2-phenylbenzamide is NC(=O)c1ccccc1-c1ccccc1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;2-phenylbenzamide?
The InChIKey is OJSZISCKZCEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.C7H6O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6/h1-9H,(H2,14,15);1-5H,(H,8,9).
What are the key properties of benzoic acid;2-phenylbenzamide?
benzoic acid;2-phenylbenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-phenylbenzamide is sourced from PubChem (CID 70205361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).