2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide

C13H18FN5O — CID 114832222

IUPAC2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)(NCCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C13H18FN5O/c1-13(12(15)20,17-7-2-8-18-19-16)9-10-3-5-11(14)6-4-10/h3-6,17H,2,7-9H2,1H3,(H2,15,20)
InChIKeyWKRSJEWQEYTJEE-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.90
Rot. Bonds8

About 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide

2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 114832222) has the molecular formula C13H18FN5O and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide
PubChem CID114832222
Molecular FormulaC13H18FN5O
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC Name2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)(NCCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C13H18FN5O/c1-13(12(15)20,17-7-2-8-18-19-16)9-10-3-5-11(14)6-4-10/h3-6,17H,2,7-9H2,1H3,(H2,15,20)
InChIKeyWKRSJEWQEYTJEE-UHFFFAOYSA-N
XLogP1.90
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 114831963
2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide
CID 83119646
2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
CID 114083108
2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide
CID 114872028
2-(3-azidopropylamino)-2-(2-chloro-4-fluorophenyl)propanoic acid
CID 66190477
2-(2-azidoethylamino)-2-methyloctanamide
CID 66188674
methyl 2-(3-azidopropylamino)-2-(4-fluorophenyl)acetate
CID 66190896
2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114831914
3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
2-(3-azidopropylamino)-2-methyloctanoic acid
CID 66191282
2-(3-azidopropylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 66165562
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide (CID 114832222) is 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide is CC(Cc1ccc(F)cc1)(NCCCN=[N+]=[N-])C(N)=O.
What is the InChIKey of 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is WKRSJEWQEYTJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5O/c1-13(12(15)20,17-7-2-8-18-19-16)9-10-3-5-11(14)6-4-10/h3-6,17H,2,7-9H2,1H3,(H2,15,20).
What are the key properties of 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide?
2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 279.32 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 114832222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).