N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide

C12H14Cl2N2O — CID 109012161

IUPACN-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-2-7-15-8-6-11(17)16-12-9(13)4-3-5-10(12)14/h2-5,15H,1,6-8H2,(H,16,17)
InChIKeyGGDFGDWLXPWESG-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.10
Rot. Bonds6

About N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide

N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide (PubChem CID 109012161) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
PubChem CID109012161
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-2-7-15-8-6-11(17)16-12-9(13)4-3-5-10(12)14/h2-5,15H,1,6-8H2,(H,16,17)
InChIKeyGGDFGDWLXPWESG-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78908846
N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025214
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide
CID 43627349
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(2,6-dichlorophenyl)-3-(4-fluoroanilino)propanamide
CID 109037778
3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109012118
(2R)-2-[[3-(2,6-dichloroanilino)-3-oxopropyl]amino]propanoic acid
CID 83194749
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide (CID 109012161) is N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide is C=CCNCCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide?
The InChIKey is GGDFGDWLXPWESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-2-7-15-8-6-11(17)16-12-9(13)4-3-5-10(12)14/h2-5,15H,1,6-8H2,(H,16,17).
What are the key properties of N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide?
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide has a molecular weight of 273.16 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 109012161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).