2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide

C9H14ClFN2O — CID 155085572

IUPAC2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide
SMILESC=C(Cl)NCC(=O)NC(C)/C(F)=C\C
InChIInChI=1S/C9H14ClFN2O/c1-4-8(11)6(2)13-9(14)5-12-7(3)10/h4,6,12H,3,5H2,1-2H3,(H,13,14)/b8-4+
InChIKeyCBPMKAAWHLGNRL-XBXARRHUSA-N
MW220.67 g/mol
LogP1.66
Rot. Bonds5

About 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide

2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide (PubChem CID 155085572) has the molecular formula C9H14ClFN2O and a molecular weight of 220.67 g/mol. Its IUPAC name is 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide
PubChem CID155085572
Molecular FormulaC9H14ClFN2O
Molecular Weight220.67 g/mol
Exact Mass220.08
IUPAC Name2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide
SMILESC=C(Cl)NCC(=O)NC(C)/C(F)=C\C
InChIInChI=1S/C9H14ClFN2O/c1-4-8(11)6(2)13-9(14)5-12-7(3)10/h4,6,12H,3,5H2,1-2H3,(H,13,14)/b8-4+
InChIKeyCBPMKAAWHLGNRL-XBXARRHUSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.67
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide?
The IUPAC name of 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide (CID 155085572) is 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide.
What is the SMILES notation for 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide?
The canonical SMILES for 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide is C=C(Cl)NCC(=O)NC(C)/C(F)=C\C.
What is the InChIKey of 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide?
The InChIKey is CBPMKAAWHLGNRL-XBXARRHUSA-N. The full InChI is InChI=1S/C9H14ClFN2O/c1-4-8(11)6(2)13-9(14)5-12-7(3)10/h4,6,12H,3,5H2,1-2H3,(H,13,14)/b8-4+.
What are the key properties of 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide?
2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide has a molecular weight of 220.67 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenylamino)-N-[(E)-3-fluoropent-3-en-2-yl]acetamide is sourced from PubChem (CID 155085572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).