(E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide

C14H17Cl2NO — CID 134122899

IUPAC(E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide
SMILESCCC/C=C(\CC)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c1-3-5-6-10(4-2)14(18)17-11-7-8-12(15)13(16)9-11/h6-9H,3-5H2,1-2H3,(H,17,18)/b10-6+
InChIKeyGUTFOLFAZUONQQ-UXBLZVDNSA-N
MW286.20 g/mol
LogP5.07
Rot. Bonds5

About (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide

(E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide (PubChem CID 134122899) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide
PubChem CID134122899
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name(E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide
SMILESCCC/C=C(\CC)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c1-3-5-6-10(4-2)14(18)17-11-7-8-12(15)13(16)9-11/h6-9H,3-5H2,1-2H3,(H,17,18)/b10-6+
InChIKeyGUTFOLFAZUONQQ-UXBLZVDNSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.20
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-dichlorophenyl)hex-2-enamide
CID 134122925
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
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N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide
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4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
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N-[4-(3,4-dichloroanilino)phenyl]propanamide
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4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
1-tert-butyl-3-(3,4-dichlorophenyl)-1-ethylurea
CID 108866426
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
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CID 19658700

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide?
The IUPAC name of (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide (CID 134122899) is (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide?
The canonical SMILES for (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide is CCC/C=C(\CC)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide?
The InChIKey is GUTFOLFAZUONQQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-3-5-6-10(4-2)14(18)17-11-7-8-12(15)13(16)9-11/h6-9H,3-5H2,1-2H3,(H,17,18)/b10-6+.
What are the key properties of (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide?
(E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide has a molecular weight of 286.20 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dichlorophenyl)-2-ethylhex-2-enamide is sourced from PubChem (CID 134122899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).