(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide

C17H21Cl2NO — CID 6042674

IUPAC(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NC1CCCCCCC1
InChIInChI=1S/C17H21Cl2NO/c18-14-10-8-13(16(19)12-14)9-11-17(21)20-15-6-4-2-1-3-5-7-15/h8-12,15H,1-7H2,(H,20,21)/b11-9+
InChIKeyGWPFFJPKESDPQC-PKNBQFBNSA-N
MW326.27 g/mol
LogP5.24
Rot. Bonds3

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

(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 6042674) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID6042674
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC Name(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NC1CCCCCCC1
InChIInChI=1S/C17H21Cl2NO/c18-14-10-8-13(16(19)12-14)9-11-17(21)20-15-6-4-2-1-3-5-7-15/h8-12,15H,1-7H2,(H,20,21)/b11-9+
InChIKeyGWPFFJPKESDPQC-PKNBQFBNSA-N
XLogP5.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.27
LogP ≤ 55.24
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-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]cyclohexyl]methyl]cyclohexyl]prop-2-enamide
CID 6082811
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-3-(2,4-dichlorophenyl)-N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 9264474
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
N-cyclopropyl-3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 9247195
(E)-N-(2-cyclopentylsulfanylethyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 100754959
2-cyclopropyl-2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 76954378
(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
CID 896747
4-[3-(2,4-dichlorophenyl)prop-2-enoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79192531
(E)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 108764745
N-cyclohexyl-N'-[(2,4-dichlorophenyl)methylideneamino]propanediamide
CID 1098758

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide (CID 6042674) is (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NC1CCCCCCC1.
What is the InChIKey of (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is GWPFFJPKESDPQC-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H21Cl2NO/c18-14-10-8-13(16(19)12-14)9-11-17(21)20-15-6-4-2-1-3-5-7-15/h8-12,15H,1-7H2,(H,20,21)/b11-9+.
What are the key properties of (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 326.27 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 6042674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).