2-(benzamidooxymethyl)benzoic acid

C15H13NO4 — CID 87883504

IUPAC2-(benzamidooxymethyl)benzoic acid
SMILESO=C(NOCc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(11-6-2-1-3-7-11)16-20-10-12-8-4-5-9-13(12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyUOLJGXWNQBXESG-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.25
Rot. Bonds5

About 2-(benzamidooxymethyl)benzoic acid

2-(benzamidooxymethyl)benzoic acid (PubChem CID 87883504) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(benzamidooxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(benzamidooxymethyl)benzoic acid
PubChem CID87883504
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-(benzamidooxymethyl)benzoic acid
SMILESO=C(NOCc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(11-6-2-1-3-7-11)16-20-10-12-8-4-5-9-13(12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKeyUOLJGXWNQBXESG-UHFFFAOYSA-N
XLogP2.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
N-(thiophen-2-ylmethoxy)benzamide
CID 21191380
2-(dihydroxyphosphanyloxymethyl)benzoic acid
CID 145267379
N-(2-fluoroethoxy)benzamide
CID 142724963
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
2-[2-(2-methoxyethoxyamino)-2-oxoethyl]benzoic acid
CID 104601734
4-bromo-N-phenylmethoxybenzamide
CID 41450559
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
N-(2-hydroxy-2-methylpropoxy)benzamide
CID 87971931
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
2-[[4-[(2-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20986440
2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 22684313

Frequently Asked Questions

What is the IUPAC name of 2-(benzamidooxymethyl)benzoic acid?
The IUPAC name of 2-(benzamidooxymethyl)benzoic acid (CID 87883504) is 2-(benzamidooxymethyl)benzoic acid.
What is the SMILES notation for 2-(benzamidooxymethyl)benzoic acid?
The canonical SMILES for 2-(benzamidooxymethyl)benzoic acid is O=C(NOCc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-(benzamidooxymethyl)benzoic acid?
The InChIKey is UOLJGXWNQBXESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(11-6-2-1-3-7-11)16-20-10-12-8-4-5-9-13(12)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19).
What are the key properties of 2-(benzamidooxymethyl)benzoic acid?
2-(benzamidooxymethyl)benzoic acid has a molecular weight of 271.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzamidooxymethyl)benzoic acid is sourced from PubChem (CID 87883504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).