(E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide

C14H15Cl2NO2 — CID 83235404

IUPAC(E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)NOC1CCCC1
InChIInChI=1S/C14H15Cl2NO2/c15-11-6-7-13(16)10(9-11)5-8-14(18)17-19-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,17,18)/b8-5+
InChIKeyXBSQJVVVNXXGPE-VMPITWQZSA-N
MW300.19 g/mol
LogP4.00
Rot. Bonds4

About (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide

(E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide (PubChem CID 83235404) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide
PubChem CID83235404
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name(E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Cl)ccc1Cl)NOC1CCCC1
InChIInChI=1S/C14H15Cl2NO2/c15-11-6-7-13(16)10(9-11)5-8-14(18)17-19-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,17,18)/b8-5+
InChIKeyXBSQJVVVNXXGPE-VMPITWQZSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide
CID 83202100
(E)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
CID 83202500
(E)-3-(2,5-dichlorophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
CID 107845891
3-[3-(2,5-dichlorophenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110070
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007
(E)-3-(2,5-dichlorophenyl)prop-2-enoic acid
CID 7014934
5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674
(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
CID 83202528
(E)-N-cyclopentyloxy-3-(4-ethylphenyl)prop-2-enamide
CID 83202117
(E)-3-(2,5-dichlorophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)prop-2-enamide
CID 103933535

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide (CID 83235404) is (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1cc(Cl)ccc1Cl)NOC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide?
The InChIKey is XBSQJVVVNXXGPE-VMPITWQZSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c15-11-6-7-13(16)10(9-11)5-8-14(18)17-19-12-3-1-2-4-12/h5-9,12H,1-4H2,(H,17,18)/b8-5+.
What are the key properties of (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide?
(E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide has a molecular weight of 300.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 83235404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).