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

C23H20N2O5 — CID 17297003

IUPAC2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1
InChIInChI=1S/C23H20N2O5/c1-2-30-18-10-6-8-16(14-18)21(26)24-17-9-5-7-15(13-17)22(27)25-20-12-4-3-11-19(20)23(28)29/h3-14H,2H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyZFLOPGDQGMQVDA-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.29
Rot. Bonds7

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

2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid (PubChem CID 17297003) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
PubChem CID17297003
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
SMILESCCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1
InChIInChI=1S/C23H20N2O5/c1-2-30-18-10-6-8-16(14-18)21(26)24-17-9-5-7-15(13-17)22(27)25-20-12-4-3-11-19(20)23(28)29/h3-14H,2H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyZFLOPGDQGMQVDA-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-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 2204072
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17139549
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1107335
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid (CID 17297003) is 2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid is CCOc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1.
What is the InChIKey of 2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is ZFLOPGDQGMQVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-2-30-18-10-6-8-16(14-18)21(26)24-17-9-5-7-15(13-17)22(27)25-20-12-4-3-11-19(20)23(28)29/h3-14H,2H2,1H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid?
2-[[3-[(3-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-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 17297003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).