3-(2,6-dichlorophenyl)-N-propylprop-2-enamide

C12H13Cl2NO — CID 2930612

IUPAC3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-2-8-15-12(16)7-6-9-10(13)4-3-5-11(9)14/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyIFAAIOXPQIOZHQ-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.53
Rot. Bonds4

About 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide

3-(2,6-dichlorophenyl)-N-propylprop-2-enamide (PubChem CID 2930612) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
PubChem CID2930612
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)C=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H13Cl2NO/c1-2-8-15-12(16)7-6-9-10(13)4-3-5-11(9)14/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyIFAAIOXPQIOZHQ-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.53
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-chloro-6-fluorophenyl)-N-propylprop-2-enamide
CID 6176761
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43388952
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
3-(2,6-dichlorophenyl)-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 77056235
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418447
ethyl 2-[3-(2,6-dichlorophenyl)prop-2-enoylamino]acetate
CID 2931083
(E)-3-(2,6-dichlorophenyl)-N-(5-hydroxy-4-methylpentyl)prop-2-enamide
CID 103861642
(E)-3-(2,6-dichlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480917
(E)-3-(2,6-dichlorophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 106252387
(E)-3-(2,6-dichlorophenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6077577
(E)-3-(2,6-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)prop-2-enamide
CID 103772867
3-[3-(2,6-dichlorophenyl)prop-2-enoylamino]-2-hydroxy-2-methylpropanoic acid
CID 77113957

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide (CID 2930612) is 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide is CCCNC(=O)C=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide?
The InChIKey is IFAAIOXPQIOZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-2-8-15-12(16)7-6-9-10(13)4-3-5-11(9)14/h3-7H,2,8H2,1H3,(H,15,16).
What are the key properties of 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide?
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide has a molecular weight of 258.15 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 2930612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).