ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide

C19H22FN3O — CID 143235198

IUPACethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide
SMILESC=C.CCc1ccc(C)cc1.[N-]=[N+]=NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C9H12.C8H6FN3O.C2H4/c1-3-9-6-4-8(2)5-7-9;9-7-3-1-6(2-4-7)5-8(13)11-12-10;1-2/h4-7H,3H2,1-2H3;1-4H,5H2;1-2H2
InChIKeyHCCNAMIEJGFCDO-UHFFFAOYSA-N
MW327.40 g/mol
LogP5.56
Rot. Bonds3

About ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide

ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide (PubChem CID 143235198) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide.

Molecular Properties

Compound Nameethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide
PubChem CID143235198
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Nameethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide
SMILESC=C.CCc1ccc(C)cc1.[N-]=[N+]=NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C9H12.C8H6FN3O.C2H4/c1-3-9-6-4-8(2)5-7-9;9-7-3-1-6(2-4-7)5-8(13)11-12-10;1-2/h4-7H,3H2,1-2H3;1-4H,5H2;1-2H2
InChIKeyHCCNAMIEJGFCDO-UHFFFAOYSA-N
XLogP5.56
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
4-ethylbenzoyl azide
CID 43307154
2-(4-fluorophenyl)acetyl isocyanate
CID 23153088
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-ethyl-4-methylbenzene;propane
CID 144580802
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324

Frequently Asked Questions

What is the IUPAC name of ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide?
The IUPAC name of ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide (CID 143235198) is ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide.
What is the SMILES notation for ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide?
The canonical SMILES for ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide is C=C.CCc1ccc(C)cc1.[N-]=[N+]=NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide?
The InChIKey is HCCNAMIEJGFCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H6FN3O.C2H4/c1-3-9-6-4-8(2)5-7-9;9-7-3-1-6(2-4-7)5-8(13)11-12-10;1-2/h4-7H,3H2,1-2H3;1-4H,5H2;1-2H2.
What are the key properties of ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide?
ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide has a molecular weight of 327.40 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-ethyl-4-methylbenzene;2-(4-fluorophenyl)acetyl azide is sourced from PubChem (CID 143235198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).