N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide

C12H12Cl2N2O2 — CID 108941338

IUPACN'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-2-5-15-11(17)7-12(18)16-10-6-8(13)3-4-9(10)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18)
InChIKeyBWDUCTUASFYXQL-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.62
Rot. Bonds5

About N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide

N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide (PubChem CID 108941338) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide
PubChem CID108941338
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC NameN'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-2-5-15-11(17)7-12(18)16-10-6-8(13)3-4-9(10)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18)
InChIKeyBWDUCTUASFYXQL-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46663083
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpropanediamide
CID 108941307
5-N-(2,5-dichlorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101895
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide?
The IUPAC name of N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide (CID 108941338) is N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide?
The canonical SMILES for N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide is C=CCNC(=O)CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide?
The InChIKey is BWDUCTUASFYXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-2-5-15-11(17)7-12(18)16-10-6-8(13)3-4-9(10)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18).
What are the key properties of N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide?
N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide has a molecular weight of 287.15 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide is sourced from PubChem (CID 108941338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).