2-benzoyl-5-(dimethylamino)benzoic acid

C16H15NO3 — CID 19812381

IUPAC2-benzoyl-5-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(C(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-17(2)12-8-9-13(14(10-12)16(19)20)15(18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,20)
InChIKeyUORVIPPGIFVCGI-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.68
Rot. Bonds4

About 2-benzoyl-5-(dimethylamino)benzoic acid

2-benzoyl-5-(dimethylamino)benzoic acid (PubChem CID 19812381) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-benzoyl-5-(dimethylamino)benzoic acid.

Molecular Properties

Compound Name2-benzoyl-5-(dimethylamino)benzoic acid
PubChem CID19812381
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-benzoyl-5-(dimethylamino)benzoic acid
SMILESCN(C)c1ccc(C(=O)c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-17(2)12-8-9-13(14(10-12)16(19)20)15(18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,20)
InChIKeyUORVIPPGIFVCGI-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
1-[2-benzoyl-5-(diethylamino)phenyl]ethanone
CID 151104618
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
3,4-dibenzoylphthalic acid
CID 22269446
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
2-[4-[[4-(dimethylamino)phenyl]methylamino]benzoyl]benzoic acid
CID 71339096
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-(dimethylamino)benzoic acid?
The IUPAC name of 2-benzoyl-5-(dimethylamino)benzoic acid (CID 19812381) is 2-benzoyl-5-(dimethylamino)benzoic acid.
What is the SMILES notation for 2-benzoyl-5-(dimethylamino)benzoic acid?
The canonical SMILES for 2-benzoyl-5-(dimethylamino)benzoic acid is CN(C)c1ccc(C(=O)c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-benzoyl-5-(dimethylamino)benzoic acid?
The InChIKey is UORVIPPGIFVCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(2)12-8-9-13(14(10-12)16(19)20)15(18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-benzoyl-5-(dimethylamino)benzoic acid?
2-benzoyl-5-(dimethylamino)benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-(dimethylamino)benzoic acid is sourced from PubChem (CID 19812381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).