acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane

C20H22Cl2N2O2 — CID 144549677

IUPACacetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane
SMILESC#C.CC.CC(=O)NC/C=C/c1ccc(Oc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C16H14Cl2N2O2.C2H6.C2H2/c1-11(21)19-8-2-3-12-4-7-16(20-10-12)22-15-6-5-13(17)9-14(15)18;2*1-2/h2-7,9-10H,8H2,1H3,(H,19,21);1-2H3;1-2H/b3-2+;;
InChIKeyFBMPAEOLXPVACE-WTVBWJGASA-N
MW393.31 g/mol
LogP5.61
Rot. Bonds5

About acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane

acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane (PubChem CID 144549677) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane.

Molecular Properties

Compound Nameacetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane
PubChem CID144549677
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Nameacetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane
SMILESC#C.CC.CC(=O)NC/C=C/c1ccc(Oc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C16H14Cl2N2O2.C2H6.C2H2/c1-11(21)19-8-2-3-12-4-7-16(20-10-12)22-15-6-5-13(17)9-14(15)18;2*1-2/h2-7,9-10H,8H2,1H3,(H,19,21);1-2H3;1-2H/b3-2+;;
InChIKeyFBMPAEOLXPVACE-WTVBWJGASA-N
XLogP5.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-[6-(4-fluoro-3-methoxyphenoxy)-3-pyridinyl]prop-2-enyl]acetamide
CID 144549739
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
N-[4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]-2-methylbut-3-enyl]acetamide
CID 123137188
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
N-[(2S)-4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 123684067
(E)-3-[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80633344
N-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenyl]-4-chlorobutanamide
CID 118345291
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
N-[4-(6-methoxy-3-pyridinyl)but-3-enyl]acetamide
CID 170488425

Frequently Asked Questions

What is the IUPAC name of acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane?
The IUPAC name of acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane (CID 144549677) is acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane.
What is the SMILES notation for acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane?
The canonical SMILES for acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane is C#C.CC.CC(=O)NC/C=C/c1ccc(Oc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane?
The InChIKey is FBMPAEOLXPVACE-WTVBWJGASA-N. The full InChI is InChI=1S/C16H14Cl2N2O2.C2H6.C2H2/c1-11(21)19-8-2-3-12-4-7-16(20-10-12)22-15-6-5-13(17)9-14(15)18;2*1-2/h2-7,9-10H,8H2,1H3,(H,19,21);1-2H3;1-2H/b3-2+;;.
What are the key properties of acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane?
acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane has a molecular weight of 393.31 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-[(E)-3-[6-(2,4-dichlorophenoxy)-3-pyridinyl]prop-2-enyl]acetamide;ethane is sourced from PubChem (CID 144549677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).