4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide

C14H15N5O3 — CID 141475173

IUPAC4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(/C=N/NC(=O)NN)o2)cc1
InChIInChI=1S/C14H15N5O3/c1-16-13(20)10-4-2-9(3-5-10)12-7-6-11(22-12)8-17-19-14(21)18-15/h2-8H,15H2,1H3,(H,16,20)(H2,18,19,21)/b17-8+
InChIKeyQVQYFUZUKBKWLK-CAOOACKPSA-N
MW301.31 g/mol
LogP0.81
Rot. Bonds4

About 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide

4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide (PubChem CID 141475173) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide
PubChem CID141475173
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(/C=N/NC(=O)NN)o2)cc1
InChIInChI=1S/C14H15N5O3/c1-16-13(20)10-4-2-9(3-5-10)12-7-6-11(22-12)8-17-19-14(21)18-15/h2-8H,15H2,1H3,(H,16,20)(H2,18,19,21)/b17-8+
InChIKeyQVQYFUZUKBKWLK-CAOOACKPSA-N
XLogP0.81
TPSA121.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate
CID 141475171
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 18283704
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017
2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 175005479
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827
butyl 4-[5-[(methylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 3475419
4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5396321
1-[[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4650776
ethyl 4-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 57360938

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide (CID 141475173) is 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc(/C=N/NC(=O)NN)o2)cc1.
What is the InChIKey of 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide?
The InChIKey is QVQYFUZUKBKWLK-CAOOACKPSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-16-13(20)10-4-2-9(3-5-10)12-7-6-11(22-12)8-17-19-14(21)18-15/h2-8H,15H2,1H3,(H,16,20)(H2,18,19,21)/b17-8+.
What are the key properties of 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide?
4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide has a molecular weight of 301.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 141475173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).