3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide

C17H22ClNO — CID 966037

IUPAC3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NC1CCCCCCC1
InChIInChI=1S/C17H22ClNO/c18-16-11-7-6-8-14(16)12-13-17(20)19-15-9-4-2-1-3-5-10-15/h6-8,11-13,15H,1-5,9-10H2,(H,19,20)
InChIKeyOWYHIEMDJNBUFE-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.58
Rot. Bonds3

About 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide

3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide (PubChem CID 966037) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
PubChem CID966037
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)NC1CCCCCCC1
InChIInChI=1S/C17H22ClNO/c18-16-11-7-6-8-14(16)12-13-17(20)19-15-9-4-2-1-3-5-10-15/h6-8,11-13,15H,1-5,9-10H2,(H,19,20)
InChIKeyOWYHIEMDJNBUFE-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.58
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)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
(E)-3-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 5334713
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
CID 896747
(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 103774226
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide (CID 966037) is 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide is O=C(C=Cc1ccccc1Cl)NC1CCCCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide?
The InChIKey is OWYHIEMDJNBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-16-11-7-6-8-14(16)12-13-17(20)19-15-9-4-2-1-3-5-10-15/h6-8,11-13,15H,1-5,9-10H2,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide?
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide has a molecular weight of 291.82 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide is sourced from PubChem (CID 966037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).