3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide

C13H13Cl2NO2 — CID 77109926

IUPAC3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1Cl)NC1CC(O)C1
InChIInChI=1S/C13H13Cl2NO2/c14-11-3-1-2-8(13(11)15)4-5-12(18)16-9-6-10(17)7-9/h1-5,9-10,17H,6-7H2,(H,16,18)
InChIKeyLKWOAPFLKIFPFZ-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.65
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide

3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide (PubChem CID 77109926) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
PubChem CID77109926
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1Cl)NC1CC(O)C1
InChIInChI=1S/C13H13Cl2NO2/c14-11-3-1-2-8(13(11)15)4-5-12(18)16-9-6-10(17)7-9/h1-5,9-10,17H,6-7H2,(H,16,18)
InChIKeyLKWOAPFLKIFPFZ-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,3-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]prop-2-enamide
CID 104927217
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
(E)-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dichlorophenyl)prop-2-enamide
CID 24614351
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
(E)-N-cyclopentyloxy-3-(2,3-dichlorophenyl)prop-2-enamide
CID 83202100
3-(2,3-dichlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
CID 77109035
(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
3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109928
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 76859976

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide (CID 77109926) is 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide is O=C(C=Cc1cccc(Cl)c1Cl)NC1CC(O)C1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
The InChIKey is LKWOAPFLKIFPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-11-3-1-2-8(13(11)15)4-5-12(18)16-9-6-10(17)7-9/h1-5,9-10,17H,6-7H2,(H,16,18).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide?
3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide has a molecular weight of 286.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide is sourced from PubChem (CID 77109926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).