(2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide

C16H20F2N2O2 — CID 155476806

IUPAC(2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide
SMILESC=CCN(C)C(=O)/C(F)=C/C=C/CN(CC=C)C(=O)C(=C)F
InChIInChI=1S/C16H20F2N2O2/c1-5-10-19(4)16(22)14(18)9-7-8-12-20(11-6-2)15(21)13(3)17/h5-9H,1-3,10-12H2,4H3/b8-7+,14-9-
InChIKeyXHYGNFNBSOHYOA-ZHCWNNSNSA-N
MW310.34 g/mol
LogP2.54
Rot. Bonds9

About (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide

(2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide (PubChem CID 155476806) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide
PubChem CID155476806
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name(2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide
SMILESC=CCN(C)C(=O)/C(F)=C/C=C/CN(CC=C)C(=O)C(=C)F
InChIInChI=1S/C16H20F2N2O2/c1-5-10-19(4)16(22)14(18)9-7-8-12-20(11-6-2)15(21)13(3)17/h5-9H,1-3,10-12H2,4H3/b8-7+,14-9-
InChIKeyXHYGNFNBSOHYOA-ZHCWNNSNSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide (CID 155476806) is (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide is C=CCN(C)C(=O)/C(F)=C/C=C/CN(CC=C)C(=O)C(=C)F.
What is the InChIKey of (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide?
The InChIKey is XHYGNFNBSOHYOA-ZHCWNNSNSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-5-10-19(4)16(22)14(18)9-7-8-12-20(11-6-2)15(21)13(3)17/h5-9H,1-3,10-12H2,4H3/b8-7+,14-9-.
What are the key properties of (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide?
(2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide has a molecular weight of 310.34 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-fluoro-6-[2-fluoroprop-2-enoyl(prop-2-enyl)amino]-N-methyl-N-prop-2-enylhexa-2,4-dienamide is sourced from PubChem (CID 155476806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).