2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide

C7H13F2N3O — CID 54123269

IUPAC2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide
SMILESNCC=CC(NC(=O)CN)C(F)F
InChIInChI=1S/C7H13F2N3O/c8-7(9)5(2-1-3-10)12-6(13)4-11/h1-2,5,7H,3-4,10-11H2,(H,12,13)
InChIKeyNPEWHCLHKIUCQX-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.79
Rot. Bonds5

About 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide

2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide (PubChem CID 54123269) has the molecular formula C7H13F2N3O and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide
PubChem CID54123269
Molecular FormulaC7H13F2N3O
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide
SMILESNCC=CC(NC(=O)CN)C(F)F
InChIInChI=1S/C7H13F2N3O/c8-7(9)5(2-1-3-10)12-6(13)4-11/h1-2,5,7H,3-4,10-11H2,(H,12,13)
InChIKeyNPEWHCLHKIUCQX-UHFFFAOYSA-N
XLogP-0.79
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
CID 10535774
2-amino-N-[(E)-5-amino-1,1-difluoropent-3-en-2-yl]acetamide
CID 20466306
2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide
CID 54448225
2-amino-N-[(Z)-3,4,4-trifluorobut-2-enyl]propanamide
CID 88317782
2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide
CID 88746935
2,2,2-trifluoro-N-[(E)-pent-2-enyl]acetamide
CID 118520382
2,2,2-trifluoro-N-pent-2-enylacetamide
CID 123600952
2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 126732342
N-[[(2S)-5,5-dimethyl-1,2-dihydropyrrol-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 143714277
1-(3,8-Diazabicyclo[3.2.1]oct-6-en-8-yl)-2,2,2-trifluoroethanone
CID 172264188
2-(cyclohex-3-en-1-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 65701719
N-cyclohex-3-en-1-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78995543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide?
The IUPAC name of 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide (CID 54123269) is 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide.
What is the SMILES notation for 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide?
The canonical SMILES for 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide is NCC=CC(NC(=O)CN)C(F)F.
What is the InChIKey of 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide?
The InChIKey is NPEWHCLHKIUCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O/c8-7(9)5(2-1-3-10)12-6(13)4-11/h1-2,5,7H,3-4,10-11H2,(H,12,13).
What are the key properties of 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide?
2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide has a molecular weight of 193.20 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-amino-1,1-difluoropent-3-en-2-yl)acetamide is sourced from PubChem (CID 54123269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).