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

C14H13BrN2O2 — CID 107074846

IUPAC2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H13BrN2O2/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18)5-6-13(11)16/h1-7,18H,8,16H2,(H,17,19)
InChIKeyNSFIKUPASIHKKF-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.67
Rot. Bonds3

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

2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide (PubChem CID 107074846) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
PubChem CID107074846
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H13BrN2O2/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18)5-6-13(11)16/h1-7,18H,8,16H2,(H,17,19)
InChIKeyNSFIKUPASIHKKF-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-benzyl-5-hydroxybenzamide
CID 54594052
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63852378
N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
CID 106500148
2-amino-N-(2-chloroprop-2-enyl)-5-hydroxybenzamide
CID 107076012
2-amino-5-[(2-bromophenyl)methylamino]benzoic acid
CID 61413975

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide (CID 107074846) is 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide is Nc1ccc(O)cc1C(=O)NCc1ccccc1Br.
What is the InChIKey of 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide?
The InChIKey is NSFIKUPASIHKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-4-2-1-3-9(12)8-17-14(19)11-7-10(18)5-6-13(11)16/h1-7,18H,8,16H2,(H,17,19).
What are the key properties of 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide?
2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide 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 2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide is sourced from PubChem (CID 107074846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).