3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide

C16H16N2O5 — CID 108540088

IUPAC3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1cc(O)cc(O)c1
InChIInChI=1S/C16H16N2O5/c19-11-7-10(8-12(20)9-11)15(22)17-5-6-18-16(23)13-3-1-2-4-14(13)21/h1-4,7-9,19-21H,5-6H2,(H,17,22)(H,18,23)
InChIKeyDMILEEAQRIUZBK-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.96
Rot. Bonds5

About 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide

3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide (PubChem CID 108540088) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
PubChem CID108540088
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1O)c1cc(O)cc(O)c1
InChIInChI=1S/C16H16N2O5/c19-11-7-10(8-12(20)9-11)15(22)17-5-6-18-16(23)13-3-1-2-4-14(13)21/h1-4,7-9,19-21H,5-6H2,(H,17,22)(H,18,23)
InChIKeyDMILEEAQRIUZBK-UHFFFAOYSA-N
XLogP0.96
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-chloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 60572102
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
3,4,5-trihydroxy-N-[2-[(2-sulfanylbenzoyl)amino]ethyl]benzamide
CID 108540134
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108542531
2-hydroxy-N-[2-[(4-nitrobenzoyl)amino]ethyl]benzamide
CID 60572009
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
2-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537618

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide (CID 108540088) is 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide?
The InChIKey is DMILEEAQRIUZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-11-7-10(8-12(20)9-11)15(22)17-5-6-18-16(23)13-3-1-2-4-14(13)21/h1-4,7-9,19-21H,5-6H2,(H,17,22)(H,18,23).
What are the key properties of 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide?
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide has a molecular weight of 316.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 108540088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).