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

C14H15Cl2NO2 — CID 83202100

IUPAC(E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NOC1CCCC1
InChIInChI=1S/C14H15Cl2NO2/c15-12-7-3-4-10(14(12)16)8-9-13(18)17-19-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,17,18)/b9-8+
InChIKeyLFGSVWGWZAVXKI-CMDGGOBGSA-N
MW300.19 g/mol
LogP4.00
Rot. Bonds4

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

(E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide (PubChem CID 83202100) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is (E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide
PubChem CID83202100
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name(E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1Cl)NOC1CCCC1
InChIInChI=1S/C14H15Cl2NO2/c15-12-7-3-4-10(14(12)16)8-9-13(18)17-19-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,17,18)/b9-8+
InChIKeyLFGSVWGWZAVXKI-CMDGGOBGSA-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)-3-(2-bromophenyl)-N-cyclopentyloxyprop-2-enamide
CID 83202500
(E)-N-cyclopentyloxy-3-(2,5-dichlorophenyl)prop-2-enamide
CID 83235404
(E)-3-(2,3-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]prop-2-enamide
CID 104927217
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007
2,6-dichloro-N-cyclopentyloxybenzamide
CID 83216790
3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109926
(E)-N-(2-cyclopentylpyrazol-3-yl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 55337625
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
(E)-3-(2,3-dichlorophenyl)-1-(3,4-dihydroxypyrrolidin-1-yl)prop-2-en-1-one
CID 106671313
(E)-N-cyclopentyloxy-3-(3-nitrophenyl)prop-2-enamide
CID 83202528
(E)-N-cyclobutyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684628
1-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427851

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide (CID 83202100) is (E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1Cl)NOC1CCCC1.
What is the InChIKey of (E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide?
The InChIKey is LFGSVWGWZAVXKI-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c15-12-7-3-4-10(14(12)16)8-9-13(18)17-19-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6H2,(H,17,18)/b9-8+.
What are the key properties of (E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide?
(E)-N-cyclopentyloxy-3-(2,3-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-(2,3-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 83202100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).