3-(benzamidocarbamoyloxy)benzoic acid

C15H12N2O5 — CID 10566112

IUPAC3-(benzamidocarbamoyloxy)benzoic acid
SMILESO=C(NNC(=O)c1ccccc1)Oc1cccc(C(=O)O)c1
InChIInChI=1S/C15H12N2O5/c18-13(10-5-2-1-3-6-10)16-17-15(21)22-12-8-4-7-11(9-12)14(19)20/h1-9H,(H,16,18)(H,17,21)(H,19,20)
InChIKeyBSBGWECIOLOYMF-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.82
Rot. Bonds3

About 3-(benzamidocarbamoyloxy)benzoic acid

3-(benzamidocarbamoyloxy)benzoic acid (PubChem CID 10566112) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-(benzamidocarbamoyloxy)benzoic acid.

Molecular Properties

Compound Name3-(benzamidocarbamoyloxy)benzoic acid
PubChem CID10566112
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name3-(benzamidocarbamoyloxy)benzoic acid
SMILESO=C(NNC(=O)c1ccccc1)Oc1cccc(C(=O)O)c1
InChIInChI=1S/C15H12N2O5/c18-13(10-5-2-1-3-6-10)16-17-15(21)22-12-8-4-7-11(9-12)14(19)20/h1-9H,(H,16,18)(H,17,21)(H,19,20)
InChIKeyBSBGWECIOLOYMF-UHFFFAOYSA-N
XLogP1.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
phenyl N-benzoylcarbamate
CID 66560330
(3-methylphenyl) N-benzoylcarbamate
CID 790837
3-(4-methoxy-4-oxobutanoyl)oxybenzoic acid
CID 54854768
3-(3-oxobutanoyloxy)benzoic acid
CID 71330427
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-(2,2,2-trifluoroethanethioyl)oxybenzoic acid
CID 91880502
3-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854728
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
3-iodosulfanyloxybenzoic acid
CID 143814141
3-[3-(benzylamino)-3-oxopropanoyl]oxybenzoic acid
CID 46229593

Frequently Asked Questions

What is the IUPAC name of 3-(benzamidocarbamoyloxy)benzoic acid?
The IUPAC name of 3-(benzamidocarbamoyloxy)benzoic acid (CID 10566112) is 3-(benzamidocarbamoyloxy)benzoic acid.
What is the SMILES notation for 3-(benzamidocarbamoyloxy)benzoic acid?
The canonical SMILES for 3-(benzamidocarbamoyloxy)benzoic acid is O=C(NNC(=O)c1ccccc1)Oc1cccc(C(=O)O)c1.
What is the InChIKey of 3-(benzamidocarbamoyloxy)benzoic acid?
The InChIKey is BSBGWECIOLOYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-13(10-5-2-1-3-6-10)16-17-15(21)22-12-8-4-7-11(9-12)14(19)20/h1-9H,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 3-(benzamidocarbamoyloxy)benzoic acid?
3-(benzamidocarbamoyloxy)benzoic acid has a molecular weight of 300.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzamidocarbamoyloxy)benzoic acid is sourced from PubChem (CID 10566112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).