N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide

C14H14N2O3 — CID 43548729

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
SMILESNc1ccc(O)c(CNC(=O)c2ccccc2O)c1
InChIInChI=1S/C14H14N2O3/c15-10-5-6-12(17)9(7-10)8-16-14(19)11-3-1-2-4-13(11)18/h1-7,17-18H,8,15H2,(H,16,19)
InChIKeyYFVMSQTZQKEDBW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.61
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide

N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide (PubChem CID 43548729) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
PubChem CID43548729
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
SMILESNc1ccc(O)c(CNC(=O)c2ccccc2O)c1
InChIInChI=1S/C14H14N2O3/c15-10-5-6-12(17)9(7-10)8-16-14(19)11-3-1-2-4-13(11)18/h1-7,17-18H,8,15H2,(H,16,19)
InChIKeyYFVMSQTZQKEDBW-UHFFFAOYSA-N
XLogP1.61
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
CID 43548657
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614
N-[(5-amino-2-hydroxyphenyl)methyl]-2-propylpentanamide
CID 82985461

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide (CID 43548729) is N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide is Nc1ccc(O)c(CNC(=O)c2ccccc2O)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide?
The InChIKey is YFVMSQTZQKEDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-10-5-6-12(17)9(7-10)8-16-14(19)11-3-1-2-4-13(11)18/h1-7,17-18H,8,15H2,(H,16,19).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide has a molecular weight of 258.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 43548729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).