2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid

C15H14N2O4 — CID 63772021

IUPAC2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
SMILESNc1cccc(C(=O)Nc2cccc(OCC(=O)O)c2)c1
InChIInChI=1S/C15H14N2O4/c16-11-4-1-3-10(7-11)15(20)17-12-5-2-6-13(8-12)21-9-14(18)19/h1-8H,9,16H2,(H,17,20)(H,18,19)
InChIKeySCSAFZCEWRBKDB-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.98
Rot. Bonds5

About 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid

2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid (PubChem CID 63772021) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
PubChem CID63772021
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
SMILESNc1cccc(C(=O)Nc2cccc(OCC(=O)O)c2)c1
InChIInChI=1S/C15H14N2O4/c16-11-4-1-3-10(7-11)15(20)17-12-5-2-6-13(8-12)21-9-14(18)19/h1-8H,9,16H2,(H,17,20)(H,18,19)
InChIKeySCSAFZCEWRBKDB-UHFFFAOYSA-N
XLogP1.98
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43708780
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[2-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63746700
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid (CID 63772021) is 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid is Nc1cccc(C(=O)Nc2cccc(OCC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid?
The InChIKey is SCSAFZCEWRBKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-11-4-1-3-10(7-11)15(20)17-12-5-2-6-13(8-12)21-9-14(18)19/h1-8H,9,16H2,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid?
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 63772021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).