5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide

C19H21BrN2O3 — CID 3538780

IUPAC5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccccc1C=NNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O3/c1-2-3-6-11-25-18-8-5-4-7-14(18)13-21-22-19(24)16-12-15(20)9-10-17(16)23/h4-5,7-10,12-13,23H,2-3,6,11H2,1H3,(H,22,24)
InChIKeyAYYJYCZIYLCFNU-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.49
Rot. Bonds8

About 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide

5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide (PubChem CID 3538780) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
PubChem CID3538780
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
SMILESCCCCCOc1ccccc1C=NNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O3/c1-2-3-6-11-25-18-8-5-4-7-14(18)13-21-22-19(24)16-12-15(20)9-10-17(16)23/h4-5,7-10,12-13,23H,2-3,6,11H2,1H3,(H,22,24)
InChIKeyAYYJYCZIYLCFNU-UHFFFAOYSA-N
XLogP4.49
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 3367560
N-[(E)-(5-bromo-2-octoxyphenyl)methylideneamino]-2-phenylacetamide
CID 124552591
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 51061150
5-bromo-N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 1282664
[(5-bromo-2-hexoxyphenyl)methylideneamino]urea
CID 168531991
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide (CID 3538780) is 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide is CCCCCOc1ccccc1C=NNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide?
The InChIKey is AYYJYCZIYLCFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-2-3-6-11-25-18-8-5-4-7-14(18)13-21-22-19(24)16-12-15(20)9-10-17(16)23/h4-5,7-10,12-13,23H,2-3,6,11H2,1H3,(H,22,24).
What are the key properties of 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide has a molecular weight of 405.29 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3538780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).