2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide

C13H18FN5O — CID 114872028

IUPAC2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide
SMILESCCC(NCCCN=[N+]=[N-])(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C13H18FN5O/c1-2-13(12(15)20,17-7-4-8-18-19-16)10-5-3-6-11(14)9-10/h3,5-6,9,17H,2,4,7-8H2,1H3,(H2,15,20)
InChIKeyYLNLTJVXLSOASY-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.21
Rot. Bonds8

About 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide

2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide (PubChem CID 114872028) has the molecular formula C13H18FN5O and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide
PubChem CID114872028
Molecular FormulaC13H18FN5O
Molecular Weight279.32 g/mol
Exact Mass279.15
IUPAC Name2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide
SMILESCCC(NCCCN=[N+]=[N-])(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C13H18FN5O/c1-2-13(12(15)20,17-7-4-8-18-19-16)10-5-3-6-11(14)9-10/h3,5-6,9,17H,2,4,7-8H2,1H3,(H2,15,20)
InChIKeyYLNLTJVXLSOASY-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

2-(2-azidoethylamino)-2-phenylbutanamide
CID 66191038
2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide
CID 114872011
2-(3-fluorophenyl)-2-(methylamino)butanamide
CID 114871926
2-(2-azidoethylamino)-2-(4-fluorophenyl)butanoic acid
CID 66190014
2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114832222
2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995
1-(4-azidobutyl)-3-(3-fluorophenyl)urea
CID 106386930
2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide
CID 83119646
2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
CID 114083108
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
2-(benzylamino)-2-(3-fluorophenyl)butanoic acid
CID 114871957
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide (CID 114872028) is 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide is CCC(NCCCN=[N+]=[N-])(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide?
The InChIKey is YLNLTJVXLSOASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5O/c1-2-13(12(15)20,17-7-4-8-18-19-16)10-5-3-6-11(14)9-10/h3,5-6,9,17H,2,4,7-8H2,1H3,(H2,15,20).
What are the key properties of 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide?
2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide has a molecular weight of 279.32 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide is sourced from PubChem (CID 114872028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).