N-acetyl-4-cyano-3-methylbenzohydrazide

C11H11N3O2 — CID 118599345

IUPACN-acetyl-4-cyano-3-methylbenzohydrazide
SMILESCC(=O)N(N)C(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C11H11N3O2/c1-7-5-9(3-4-10(7)6-12)11(16)14(13)8(2)15/h3-5H,13H2,1-2H3
InChIKeyAGCJALXHEBDGFU-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.73
Rot. Bonds1

About N-acetyl-4-cyano-3-methylbenzohydrazide

N-acetyl-4-cyano-3-methylbenzohydrazide (PubChem CID 118599345) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-acetyl-4-cyano-3-methylbenzohydrazide.

Molecular Properties

Compound NameN-acetyl-4-cyano-3-methylbenzohydrazide
PubChem CID118599345
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-acetyl-4-cyano-3-methylbenzohydrazide
SMILESCC(=O)N(N)C(=O)c1ccc(C#N)c(C)c1
InChIInChI=1S/C11H11N3O2/c1-7-5-9(3-4-10(7)6-12)11(16)14(13)8(2)15/h3-5H,13H2,1-2H3
InChIKeyAGCJALXHEBDGFU-UHFFFAOYSA-N
XLogP0.73
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-3-methylbenzenecarbothioamide
CID 91875267
azane;carbonic acid;4-chloro-2-methylbenzonitrile
CID 175133680
4-ethynyl-N,N,3-trimethylbenzamide
CID 154827540
(4-cyano-3-methylphenyl)-phenylcarbamic acid
CID 126683768
N-acetyl-3-(4-chloro-5-cyano-2-methoxyphenyl)benzohydrazide
CID 135221534
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
2-(4-cyano-N,3-dimethylanilino)-N,N-dimethylacetamide
CID 81282642
4-cyano-3-methylbenzoic acid;4-cyano-3-methyl-N-(trimethylsilylmethyl)benzamide
CID 158540705
4-bromo-N-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
(4-cyano-3-methylphenyl) 4-methylbenzoate
CID 145215466
4-[(4-cyanophenyl)diazenyl]-2-methylbenzonitrile
CID 59073295
3-acetyl-2-hydroxy-4-methylbenzonitrile
CID 171020901

Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-cyano-3-methylbenzohydrazide?
The IUPAC name of N-acetyl-4-cyano-3-methylbenzohydrazide (CID 118599345) is N-acetyl-4-cyano-3-methylbenzohydrazide.
What is the SMILES notation for N-acetyl-4-cyano-3-methylbenzohydrazide?
The canonical SMILES for N-acetyl-4-cyano-3-methylbenzohydrazide is CC(=O)N(N)C(=O)c1ccc(C#N)c(C)c1.
What is the InChIKey of N-acetyl-4-cyano-3-methylbenzohydrazide?
The InChIKey is AGCJALXHEBDGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-5-9(3-4-10(7)6-12)11(16)14(13)8(2)15/h3-5H,13H2,1-2H3.
What are the key properties of N-acetyl-4-cyano-3-methylbenzohydrazide?
N-acetyl-4-cyano-3-methylbenzohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-cyano-3-methylbenzohydrazide is sourced from PubChem (CID 118599345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).