3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate

C16H16N3O2- — CID 7065216

IUPAC3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
SMILESCN(C)c1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)15-8-6-12(7-9-15)11-17-18-14-5-3-4-13(10-14)16(20)21/h3-11,18H,1-2H3,(H,20,21)/p-1/b17-11-
InChIKeyVJJXVBDYMKJSQJ-BOPFTXTBSA-M
MW282.32 g/mol
LogP1.56
Rot. Bonds5

About 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate

3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate (PubChem CID 7065216) has the molecular formula C16H16N3O2- and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
PubChem CID7065216
Molecular FormulaC16H16N3O2-
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
SMILESCN(C)c1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C16H17N3O2/c1-19(2)15-8-6-12(7-9-15)11-17-18-14-5-3-4-13(10-14)16(20)21/h3-11,18H,1-2H3,(H,20,21)/p-1/b17-11-
InChIKeyVJJXVBDYMKJSQJ-BOPFTXTBSA-M
XLogP1.56
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
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

3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate
CID 7955313
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
CID 7529688
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
2-chloro-N-[3-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 46496158
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066819
1-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]urea
CID 5355984
3-[4-(dimethylamino)anilino]benzamide;formic acid
CID 166598868

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate?
The IUPAC name of 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate (CID 7065216) is 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate?
The canonical SMILES for 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate is CN(C)c1ccc(/C=N\Nc2cccc(C(=O)[O-])c2)cc1.
What is the InChIKey of 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate?
The InChIKey is VJJXVBDYMKJSQJ-BOPFTXTBSA-M. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)15-8-6-12(7-9-15)11-17-18-14-5-3-4-13(10-14)16(20)21/h3-11,18H,1-2H3,(H,20,21)/p-1/b17-11-.
What are the key properties of 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate?
3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate has a molecular weight of 282.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7065216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).