N'-[4-(benzylamino)phenyl]acetohydrazide

C15H17N3O — CID 21427829

IUPACN'-[4-(benzylamino)phenyl]acetohydrazide
SMILESCC(=O)NNc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c1-12(19)17-18-15-9-7-14(8-10-15)16-11-13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3,(H,17,19)
InChIKeyIIMWRTQIZFXIPJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.76
Rot. Bonds5

About N'-[4-(benzylamino)phenyl]acetohydrazide

N'-[4-(benzylamino)phenyl]acetohydrazide (PubChem CID 21427829) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N'-[4-(benzylamino)phenyl]acetohydrazide.

Molecular Properties

Compound NameN'-[4-(benzylamino)phenyl]acetohydrazide
PubChem CID21427829
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN'-[4-(benzylamino)phenyl]acetohydrazide
SMILESCC(=O)NNc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c1-12(19)17-18-15-9-7-14(8-10-15)16-11-13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3,(H,17,19)
InChIKeyIIMWRTQIZFXIPJ-UHFFFAOYSA-N
XLogP2.76
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(benzylamino)phenol;hydrochloride
CID 16738613
[4-(benzylamino)phenyl]-phenylmethanone
CID 11208443
[4-(benzylamino)phenyl]urea
CID 43744943
CID 163931246
CID 163931246
(2S)-2-amino-3-[4-(benzylamino)phenyl]propanoic acid
CID 59773787
3-[4-(benzylamino)phenyl]-2-methylpropanoic acid
CID 54156603
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
tert-butyl 4-(benzylamino)benzoate
CID 67130530
tert-butyl 2-amino-3-[4-(benzylamino)phenyl]propanoate
CID 57170607
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674
N-benzyl-4-chloroaniline chloride
CID 45109713
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913

Frequently Asked Questions

What is the IUPAC name of N'-[4-(benzylamino)phenyl]acetohydrazide?
The IUPAC name of N'-[4-(benzylamino)phenyl]acetohydrazide (CID 21427829) is N'-[4-(benzylamino)phenyl]acetohydrazide.
What is the SMILES notation for N'-[4-(benzylamino)phenyl]acetohydrazide?
The canonical SMILES for N'-[4-(benzylamino)phenyl]acetohydrazide is CC(=O)NNc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N'-[4-(benzylamino)phenyl]acetohydrazide?
The InChIKey is IIMWRTQIZFXIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12(19)17-18-15-9-7-14(8-10-15)16-11-13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3,(H,17,19).
What are the key properties of N'-[4-(benzylamino)phenyl]acetohydrazide?
N'-[4-(benzylamino)phenyl]acetohydrazide has a molecular weight of 255.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(benzylamino)phenyl]acetohydrazide is sourced from PubChem (CID 21427829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).