2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid

C26H20N2O5 — CID 1107335

IUPAC2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C26H20N2O5/c29-24(16-33-21-13-12-17-6-1-2-7-18(17)15-21)27-20-9-5-8-19(14-20)25(30)28-23-11-4-3-10-22(23)26(31)32/h1-15H,16H2,(H,27,29)(H,28,30)(H,31,32)
InChIKeyHJMLXZPYMULMOH-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.81
Rot. Bonds7

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

2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid (PubChem CID 1107335) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
PubChem CID1107335
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
InChIInChI=1S/C26H20N2O5/c29-24(16-33-21-13-12-17-6-1-2-7-18(17)15-21)27-20-9-5-8-19(14-20)25(30)28-23-11-4-3-10-22(23)26(31)32/h1-15H,16H2,(H,27,29)(H,28,30)(H,31,32)
InChIKeyHJMLXZPYMULMOH-UHFFFAOYSA-N
XLogP4.81
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]benzoic acid
CID 1321809
3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
CID 6967346
2-iodo-5-[(2-naphthalen-2-yloxyacetyl)amino]benzoic acid
CID 2193275
2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-chloro-N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]benzamide
CID 1332229
3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1369639
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 26157869
N-(4-fluorophenyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 1300898

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid (CID 1107335) is 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid is O=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is HJMLXZPYMULMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c29-24(16-33-21-13-12-17-6-1-2-7-18(17)15-21)27-20-9-5-8-19(14-20)25(30)28-23-11-4-3-10-22(23)26(31)32/h1-15H,16H2,(H,27,29)(H,28,30)(H,31,32).
What are the key properties of 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid?
2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 440.46 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 1107335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).