2-azido-N-(3-fluoro-4-methylphenyl)acetamide

C9H9FN4O — CID 52940377

IUPAC2-azido-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN=[N+]=[N-])cc1F
InChIInChI=1S/C9H9FN4O/c1-6-2-3-7(4-8(6)10)13-9(15)5-12-14-11/h2-4H,5H2,1H3,(H,13,15)
InChIKeyGGLHATJOGPZBAM-UHFFFAOYSA-N
MW208.20 g/mol
LogP2.38
Rot. Bonds3

About 2-azido-N-(3-fluoro-4-methylphenyl)acetamide

2-azido-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 52940377) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-azido-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID52940377
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name2-azido-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN=[N+]=[N-])cc1F
InChIInChI=1S/C9H9FN4O/c1-6-2-3-7(4-8(6)10)13-9(15)5-12-14-11/h2-4H,5H2,1H3,(H,13,15)
InChIKeyGGLHATJOGPZBAM-UHFFFAOYSA-N
XLogP2.38
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
N-(3-fluoro-4-methylphenyl)-4-(methylamino)butanamide
CID 60841509
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237534
2-azido-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 61373651
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
tert-butyl N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]carbamate
CID 9210708
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-azido-N-(3-fluoro-4-methylphenyl)acetamide (CID 52940377) is 2-azido-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-azido-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-azido-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN=[N+]=[N-])cc1F.
What is the InChIKey of 2-azido-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is GGLHATJOGPZBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-6-2-3-7(4-8(6)10)13-9(15)5-12-14-11/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of 2-azido-N-(3-fluoro-4-methylphenyl)acetamide?
2-azido-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 208.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 52940377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).