N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide

C17H17BrN2O3 — CID 135923133

IUPACN-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide
SMILESO=C(NCCC/N=C/c1cc(Br)ccc1O)c1ccccc1O
InChIInChI=1S/C17H17BrN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+
InChIKeyJWXHUHQQMXMJRO-YBFXNURJSA-N
MW377.24 g/mol
LogP3.10
Rot. Bonds6

About N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide

N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide (PubChem CID 135923133) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide
PubChem CID135923133
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide
SMILESO=C(NCCC/N=C/c1cc(Br)ccc1O)c1ccccc1O
InChIInChI=1S/C17H17BrN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+
InChIKeyJWXHUHQQMXMJRO-YBFXNURJSA-N
XLogP3.10
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide
CID 547207
N,N'-1,3-Propanediylbis(2-hydroxybenzamide)
CID 212503
N-[3-(4-bromophenyl)acryloyl]-2-hydroxybenzamide
CID 883304
N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 883303
Benzamide, 5-bromo-N-ethyl-2-hydroxy-3-methyl-
CID 38709
5-Bromo-2-hydroxy-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135419609
Bensalan
CID 27449
N,1-dibenzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carboxamide
CID 3878772
4-bromo-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 7535151
5-bromo-2-hydroxy-N-(3-phenylsulfanylpropyl)benzamide
CID 24819826
N-{2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135401388
2-bromo-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135451270

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide (CID 135923133) is N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide is O=C(NCCC/N=C/c1cc(Br)ccc1O)c1ccccc1O.
What is the InChIKey of N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide?
The InChIKey is JWXHUHQQMXMJRO-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+.
What are the key properties of N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide?
N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide has a molecular weight of 377.24 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide is sourced from PubChem (CID 135923133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).