3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide

C17H18N4O3 — CID 122601010

IUPAC3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2cccc(C(=O)NO)c2)cc1
InChIInChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyGGOMUUCAQVUHPY-WOJGMQOQSA-N
MW326.36 g/mol
LogP1.64
Rot. Bonds5

About 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide

3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide (PubChem CID 122601010) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
PubChem CID122601010
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
SMILESCN(C)c1ccc(C(=O)N/N=C/c2cccc(C(=O)NO)c2)cc1
InChIInChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+
InChIKeyGGOMUUCAQVUHPY-WOJGMQOQSA-N
XLogP1.64
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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

3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 127042960
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123854459
N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 76666429
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
4-(dimethylamino)-N-[[3-(prop-2-enoxyiminomethyl)phenyl]methylideneamino]benzamide
CID 75306323
4-(dimethylamino)-N-[[3-[3-(ethylamino)-3-oxoprop-1-enyl]phenyl]methylideneamino]benzamide
CID 75306267
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 135982630
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
4-(dimethylamino)-N-[[4-[4-[[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]phenyl]methylideneamino]benzamide
CID 75965267
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide?
The IUPAC name of 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide (CID 122601010) is 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide?
The canonical SMILES for 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide is CN(C)c1ccc(C(=O)N/N=C/c2cccc(C(=O)NO)c2)cc1.
What is the InChIKey of 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide?
The InChIKey is GGOMUUCAQVUHPY-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21(2)15-8-6-13(7-9-15)16(22)19-18-11-12-4-3-5-14(10-12)17(23)20-24/h3-11,24H,1-2H3,(H,19,22)(H,20,23)/b18-11+.
What are the key properties of 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide?
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide has a molecular weight of 326.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 122601010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).