2-[[2-(ethylamino)benzoyl]amino]benzoic acid

C16H16N2O3 — CID 14221255

IUPAC2-[[2-(ethylamino)benzoyl]amino]benzoic acid
SMILESCCNc1ccccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H16N2O3/c1-2-17-13-9-5-3-7-11(13)15(19)18-14-10-6-4-8-12(14)16(20)21/h3-10,17H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeySQNFGFRNIDCLRA-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.07
Rot. Bonds5

About 2-[[2-(ethylamino)benzoyl]amino]benzoic acid

2-[[2-(ethylamino)benzoyl]amino]benzoic acid (PubChem CID 14221255) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[[2-(ethylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(ethylamino)benzoyl]amino]benzoic acid
PubChem CID14221255
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[[2-(ethylamino)benzoyl]amino]benzoic acid
SMILESCCNc1ccccc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H16N2O3/c1-2-17-13-9-5-3-7-11(13)15(19)18-14-10-6-4-8-12(14)16(20)21/h3-10,17H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeySQNFGFRNIDCLRA-UHFFFAOYSA-N
XLogP3.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608
2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 4949321
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]benzamide
CID 62178678
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
2-[[2-(heptan-4-ylamino)benzoyl]amino]benzoic acid
CID 139801207
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(ethylamino)benzoyl]amino]benzoic acid (CID 14221255) is 2-[[2-(ethylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(ethylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(ethylamino)benzoyl]amino]benzoic acid is CCNc1ccccc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(ethylamino)benzoyl]amino]benzoic acid?
The InChIKey is SQNFGFRNIDCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-17-13-9-5-3-7-11(13)15(19)18-14-10-6-4-8-12(14)16(20)21/h3-10,17H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(ethylamino)benzoyl]amino]benzoic acid?
2-[[2-(ethylamino)benzoyl]amino]benzoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 14221255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).