2-[(N,3-dimethylanilino)methyl]benzohydrazide

C16H19N3O — CID 63585084

IUPAC2-[(N,3-dimethylanilino)methyl]benzohydrazide
SMILESCc1cccc(N(C)Cc2ccccc2C(=O)NN)c1
InChIInChI=1S/C16H19N3O/c1-12-6-5-8-14(10-12)19(2)11-13-7-3-4-9-15(13)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyTVYNHEIAZYJLMY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.23
Rot. Bonds4

About 2-[(N,3-dimethylanilino)methyl]benzohydrazide

2-[(N,3-dimethylanilino)methyl]benzohydrazide (PubChem CID 63585084) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(N,3-dimethylanilino)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(N,3-dimethylanilino)methyl]benzohydrazide
PubChem CID63585084
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(N,3-dimethylanilino)methyl]benzohydrazide
SMILESCc1cccc(N(C)Cc2ccccc2C(=O)NN)c1
InChIInChI=1S/C16H19N3O/c1-12-6-5-8-14(10-12)19(2)11-13-7-3-4-9-15(13)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyTVYNHEIAZYJLMY-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
3-[(N,3-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116550
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
2-[(2-fluoro-N-methylanilino)methyl]benzohydrazide
CID 63585311
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
methyl 2-[(3-fluoro-N-methylanilino)methyl]benzoate
CID 82969804
4-[(N,3-dimethylanilino)methyl]-3-methylbenzoic acid
CID 114485450
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
4-fluoro-3-[(3-fluoro-N-methylanilino)methyl]benzohydrazide
CID 107458548
2-(2-amino-2-sulfanylideneethyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 94806445
3-bromo-4-[(N,3-dimethylanilino)methyl]aniline
CID 62003155

Frequently Asked Questions

What is the IUPAC name of 2-[(N,3-dimethylanilino)methyl]benzohydrazide?
The IUPAC name of 2-[(N,3-dimethylanilino)methyl]benzohydrazide (CID 63585084) is 2-[(N,3-dimethylanilino)methyl]benzohydrazide.
What is the SMILES notation for 2-[(N,3-dimethylanilino)methyl]benzohydrazide?
The canonical SMILES for 2-[(N,3-dimethylanilino)methyl]benzohydrazide is Cc1cccc(N(C)Cc2ccccc2C(=O)NN)c1.
What is the InChIKey of 2-[(N,3-dimethylanilino)methyl]benzohydrazide?
The InChIKey is TVYNHEIAZYJLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-6-5-8-14(10-12)19(2)11-13-7-3-4-9-15(13)16(20)18-17/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[(N,3-dimethylanilino)methyl]benzohydrazide?
2-[(N,3-dimethylanilino)methyl]benzohydrazide has a molecular weight of 269.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N,3-dimethylanilino)methyl]benzohydrazide is sourced from PubChem (CID 63585084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).