2-[2-(diethylamino)benzoyl]benzoic acid

C18H19NO3 — CID 151183453

IUPAC2-[2-(diethylamino)benzoyl]benzoic acid
SMILESCCN(CC)c1ccccc1C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C18H19NO3/c1-3-19(4-2)16-12-8-7-11-15(16)17(20)13-9-5-6-10-14(13)18(21)22/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyNEUFMCDGVXWOTO-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.46
Rot. Bonds6

About 2-[2-(diethylamino)benzoyl]benzoic acid

2-[2-(diethylamino)benzoyl]benzoic acid (PubChem CID 151183453) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[2-(diethylamino)benzoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)benzoyl]benzoic acid
PubChem CID151183453
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[2-(diethylamino)benzoyl]benzoic acid
SMILESCCN(CC)c1ccccc1C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C18H19NO3/c1-3-19(4-2)16-12-8-7-11-15(16)17(20)13-9-5-6-10-14(13)18(21)22/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyNEUFMCDGVXWOTO-UHFFFAOYSA-N
XLogP3.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dibutylamino)benzoyl]benzoic acid
CID 23182045
3-(diethylamino)-2-methylbenzoic acid;hydrochloride
CID 139904487
bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride
CID 141000987
2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102994009
2-amino-1-[2-(diethylamino)phenyl]ethanone
CID 83820084
[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670
2-[2-cyanoethyl(ethyl)amino]benzoic acid
CID 55125536
3-(diethylamino)-2-nitrobenzoic acid
CID 115542009
2-[butyl-[2-(N-butyl-2-carboxyanilino)ethyl]amino]benzoic acid
CID 13212636
butane;copper(1+);phthalic acid
CID 126743999
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
CID 23390564
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)benzoyl]benzoic acid?
The IUPAC name of 2-[2-(diethylamino)benzoyl]benzoic acid (CID 151183453) is 2-[2-(diethylamino)benzoyl]benzoic acid.
What is the SMILES notation for 2-[2-(diethylamino)benzoyl]benzoic acid?
The canonical SMILES for 2-[2-(diethylamino)benzoyl]benzoic acid is CCN(CC)c1ccccc1C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(diethylamino)benzoyl]benzoic acid?
The InChIKey is NEUFMCDGVXWOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-19(4-2)16-12-8-7-11-15(16)17(20)13-9-5-6-10-14(13)18(21)22/h5-12H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(diethylamino)benzoyl]benzoic acid?
2-[2-(diethylamino)benzoyl]benzoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)benzoyl]benzoic acid is sourced from PubChem (CID 151183453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).