N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide

C15H13NO4 — CID 106912375

IUPACN-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc(C=O)cc2)c1
InChIInChI=1S/C15H13NO4/c1-20-12-6-7-14(18)13(8-12)15(19)16-11-4-2-10(9-17)3-5-11/h2-9,18H,1H3,(H,16,19)
InChIKeyDBWUEXGSUTXKJA-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.47
Rot. Bonds4

About N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide

N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 106912375) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide
PubChem CID106912375
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC NameN-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc(C=O)cc2)c1
InChIInChI=1S/C15H13NO4/c1-20-12-6-7-14(18)13(8-12)15(19)16-11-4-2-10(9-17)3-5-11/h2-9,18H,1H3,(H,16,19)
InChIKeyDBWUEXGSUTXKJA-UHFFFAOYSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60716192
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
CID 79768277
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
4-[(2-hydroxy-5-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63650620
N-(3-aminoquinolin-6-yl)-2-hydroxy-5-methoxybenzamide
CID 175430915
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide (CID 106912375) is N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)Nc2ccc(C=O)cc2)c1.
What is the InChIKey of N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is DBWUEXGSUTXKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-20-12-6-7-14(18)13(8-12)15(19)16-11-4-2-10(9-17)3-5-11/h2-9,18H,1H3,(H,16,19).
What are the key properties of N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide?
N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 271.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 106912375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).