2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid

C23H20N2O5 — CID 2204072

IUPAC2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C23H20N2O5/c1-2-30-20-13-6-4-11-18(20)22(27)24-16-9-7-8-15(14-16)21(26)25-19-12-5-3-10-17(19)23(28)29/h3-14H,2H2,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyUPCOHQJWWSYIKJ-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.29
Rot. Bonds7

About 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid

2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid (PubChem CID 2204072) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
PubChem CID2204072
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C23H20N2O5/c1-2-30-20-13-6-4-11-18(20)22(27)24-16-9-7-8-15(14-16)21(26)25-19-12-5-3-10-17(19)23(28)29/h3-14H,2H2,1H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyUPCOHQJWWSYIKJ-UHFFFAOYSA-N
XLogP4.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
N-[3-(butan-2-ylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 17198857
N-(3-carbamimidoylphenyl)-2-[(2-ethoxybenzoyl)amino]benzamide
CID 90010840
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
CID 54689492
2-ethoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17219003
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200
5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid (CID 2204072) is 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid is CCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is UPCOHQJWWSYIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-2-30-20-13-6-4-11-18(20)22(27)24-16-9-7-8-15(14-16)21(26)25-19-12-5-3-10-17(19)23(28)29/h3-14H,2H2,1H3,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid?
2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 404.42 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 2204072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).