butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline

C23H28F2N2 — CID 142836190

IUPACbutane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline
SMILESCCCC.[H]/N=C(\C=C\c1ccc(F)cc1F)c1c(N)ccc(C=C)c1CC
InChIInChI=1S/C19H18F2N2.C4H10/c1-3-12-6-9-17(22)19(15(12)4-2)18(23)10-7-13-5-8-14(20)11-16(13)21;1-3-4-2/h3,5-11,23H,1,4,22H2,2H3;3-4H2,1-2H3/b10-7+,23-18+;
InChIKeyOHNDEPPPFLVVJV-ZHCRRWTCSA-N
MW370.49 g/mol
LogP6.64
Rot. Bonds6

About butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline

butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline (PubChem CID 142836190) has the molecular formula C23H28F2N2 and a molecular weight of 370.49 g/mol. Its IUPAC name is butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline.

Molecular Properties

Compound Namebutane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline
PubChem CID142836190
Molecular FormulaC23H28F2N2
Molecular Weight370.49 g/mol
Exact Mass370.22
IUPAC Namebutane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline
SMILESCCCC.[H]/N=C(\C=C\c1ccc(F)cc1F)c1c(N)ccc(C=C)c1CC
InChIInChI=1S/C19H18F2N2.C4H10/c1-3-12-6-9-17(22)19(15(12)4-2)18(23)10-7-13-5-8-14(20)11-16(13)21;1-3-4-2/h3,5-11,23H,1,4,22H2,2H3;3-4H2,1-2H3/b10-7+,23-18+;
InChIKeyOHNDEPPPFLVVJV-ZHCRRWTCSA-N
XLogP6.64
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline?
The IUPAC name of butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline (CID 142836190) is butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline.
What is the SMILES notation for butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline?
The canonical SMILES for butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline is CCCC.[H]/N=C(\C=C\c1ccc(F)cc1F)c1c(N)ccc(C=C)c1CC.
What is the InChIKey of butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline?
The InChIKey is OHNDEPPPFLVVJV-ZHCRRWTCSA-N. The full InChI is InChI=1S/C19H18F2N2.C4H10/c1-3-12-6-9-17(22)19(15(12)4-2)18(23)10-7-13-5-8-14(20)11-16(13)21;1-3-4-2/h3,5-11,23H,1,4,22H2,2H3;3-4H2,1-2H3/b10-7+,23-18+;.
What are the key properties of butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline?
butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline has a molecular weight of 370.49 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-[(E)-3-(2,4-difluorophenyl)prop-2-enimidoyl]-4-ethenyl-3-ethylaniline is sourced from PubChem (CID 142836190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).