N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide

C17H17BrN2O4 — CID 51061150

IUPACN-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESCCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H17BrN2O4/c1-2-7-24-16-6-3-12(18)8-11(16)10-19-20-17(23)14-5-4-13(21)9-15(14)22/h3-6,8-10,21-22H,2,7H2,1H3,(H,20,23)/b19-10+
InChIKeyABZWEDVPTANRQW-VXLYETTFSA-N
MW393.24 g/mol
LogP3.41
Rot. Bonds6

About N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide

N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide (PubChem CID 51061150) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
PubChem CID51061150
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESCCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H17BrN2O4/c1-2-7-24-16-6-3-12(18)8-11(16)10-19-20-17(23)14-5-4-13(21)9-15(14)22/h3-6,8-10,21-22H,2,7H2,1H3,(H,20,23)/b19-10+
InChIKeyABZWEDVPTANRQW-VXLYETTFSA-N
XLogP3.41
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 51061812
[4-bromo-2-[[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3807388
ethyl N-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]carbamate
CID 9076112
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856
N,N'-bis[(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 4149823
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
[(5-bromo-2-butoxyphenyl)methylideneamino]urea
CID 57360203
3-bromo-N-[2-[(2E)-2-[(5-bromo-2-propoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51061124
5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 3538780
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126338966

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide (CID 51061150) is N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide is CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide?
The InChIKey is ABZWEDVPTANRQW-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-2-7-24-16-6-3-12(18)8-11(16)10-19-20-17(23)14-5-4-13(21)9-15(14)22/h3-6,8-10,21-22H,2,7H2,1H3,(H,20,23)/b19-10+.
What are the key properties of N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide?
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide has a molecular weight of 393.24 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide is sourced from PubChem (CID 51061150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).