2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide

C11H13F2N5O — CID 66164945

IUPAC2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide
SMILES[N-]=[N+]=NCCCNC(C(N)=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2N5O/c12-7-3-1-4-8(13)9(7)10(11(14)19)16-5-2-6-17-18-15/h1,3-4,10,16H,2,5-6H2,(H2,14,19)
InChIKeyJWSNZCBOEWKTAJ-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.78
Rot. Bonds7

About 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide

2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide (PubChem CID 66164945) has the molecular formula C11H13F2N5O and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide
PubChem CID66164945
Molecular FormulaC11H13F2N5O
Molecular Weight269.25 g/mol
Exact Mass269.11
IUPAC Name2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide
SMILES[N-]=[N+]=NCCCNC(C(N)=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2N5O/c12-7-3-1-4-8(13)9(7)10(11(14)19)16-5-2-6-17-18-15/h1,3-4,10,16H,2,5-6H2,(H2,14,19)
InChIKeyJWSNZCBOEWKTAJ-UHFFFAOYSA-N
XLogP1.78
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.78
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-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567
2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
CID 66165772
2-(3-azidopropylamino)-2-[2-(methoxymethyl)phenyl]acetamide
CID 66188947
2-(3-azidopropylamino)-2-[3-(methoxymethyl)phenyl]acetamide
CID 66166388
methyl 2-(3-azidopropylamino)-2-(4-fluorophenyl)acetate
CID 66190896
2-(3-azidopropylamino)-2-(3-hydroxy-4-methoxyphenyl)acetamide
CID 66167007
2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 66190099
methyl 2-(3-azidopropylamino)-2-(4-methoxyphenyl)acetate
CID 66189115
methyl 2-(3-azidopropylamino)-2-(4-chloro-3-fluorophenyl)acetate
CID 66190499
2-(3-azidopropylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189497
2-(3-azidopropylamino)-2-(4-bromophenyl)acetic acid
CID 66190101
2-(3-azidopropylamino)-2-(4-iodophenyl)acetic acid
CID 114283036

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide (CID 66164945) is 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide is [N-]=[N+]=NCCCNC(C(N)=O)c1c(F)cccc1F.
What is the InChIKey of 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide?
The InChIKey is JWSNZCBOEWKTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O/c12-7-3-1-4-8(13)9(7)10(11(14)19)16-5-2-6-17-18-15/h1,3-4,10,16H,2,5-6H2,(H2,14,19).
What are the key properties of 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide?
2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide has a molecular weight of 269.25 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 66164945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).