N-[4-[(methyldiazenyl)methyl]phenyl]acetamide

C10H13N3O — CID 91067638

IUPACN-[4-[(methyldiazenyl)methyl]phenyl]acetamide
SMILESC/N=N/Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H13N3O/c1-8(14)13-10-5-3-9(4-6-10)7-12-11-2/h3-6H,7H2,1-2H3,(H,13,14)/b12-11+
InChIKeyUKWQGIWVLZGJJX-VAWYXSNFSA-N
MW191.23 g/mol
LogP2.23
Rot. Bonds3

About N-[4-[(methyldiazenyl)methyl]phenyl]acetamide

N-[4-[(methyldiazenyl)methyl]phenyl]acetamide (PubChem CID 91067638) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[4-[(methyldiazenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(methyldiazenyl)methyl]phenyl]acetamide
PubChem CID91067638
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[4-[(methyldiazenyl)methyl]phenyl]acetamide
SMILESC/N=N/Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H13N3O/c1-8(14)13-10-5-3-9(4-6-10)7-12-11-2/h3-6H,7H2,1-2H3,(H,13,14)/b12-11+
InChIKeyUKWQGIWVLZGJJX-VAWYXSNFSA-N
XLogP2.23
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793
N-[4-(trimethylsilylmethyl)phenyl]acetamide
CID 12065655
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480
N-[4-[4-(ethylsulfonylmethyl)phenoxy]phenyl]acetamide
CID 12943033
N-[4-[(2S)-2-amino-3-fluoropropyl]phenyl]acetamide
CID 71050354
N-(4-methylphenyl)acetamide
CID 7684
2-(4-acetamidophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393261
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
4-(4-acetamidophenyl)-3-aminobutanoic acid
CID 82350791
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
N-[4-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086215

Frequently Asked Questions

What is the IUPAC name of N-[4-[(methyldiazenyl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(methyldiazenyl)methyl]phenyl]acetamide (CID 91067638) is N-[4-[(methyldiazenyl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(methyldiazenyl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(methyldiazenyl)methyl]phenyl]acetamide is C/N=N/Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(methyldiazenyl)methyl]phenyl]acetamide?
The InChIKey is UKWQGIWVLZGJJX-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(14)13-10-5-3-9(4-6-10)7-12-11-2/h3-6H,7H2,1-2H3,(H,13,14)/b12-11+.
What are the key properties of N-[4-[(methyldiazenyl)methyl]phenyl]acetamide?
N-[4-[(methyldiazenyl)methyl]phenyl]acetamide has a molecular weight of 191.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(methyldiazenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 91067638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).