N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide

C14H13BrN2O2 — CID 43548733

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
SMILESNc1ccc(O)c(CNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrN2O2/c15-11-3-1-9(2-4-11)14(19)17-8-10-7-12(16)5-6-13(10)18/h1-7,18H,8,16H2,(H,17,19)
InChIKeyLNNKNYPUDXONKA-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.67
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide

N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide (PubChem CID 43548733) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
PubChem CID43548733
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
SMILESNc1ccc(O)c(CNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C14H13BrN2O2/c15-11-3-1-9(2-4-11)14(19)17-8-10-7-12(16)5-6-13(10)18/h1-7,18H,8,16H2,(H,17,19)
InChIKeyLNNKNYPUDXONKA-UHFFFAOYSA-N
XLogP2.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
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]-5-methylfuran-2-carboxamide
CID 43548614
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
N-[(5-amino-2-hydroxyphenyl)methyl]-2-propylpentanamide
CID 82985461
N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151478

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide (CID 43548733) is N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide is Nc1ccc(O)c(CNC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide?
The InChIKey is LNNKNYPUDXONKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-11-3-1-9(2-4-11)14(19)17-8-10-7-12(16)5-6-13(10)18/h1-7,18H,8,16H2,(H,17,19).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide has a molecular weight of 321.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide is sourced from PubChem (CID 43548733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).