N'-(2,6-dichlorophenyl)-N-propylpropanediamide

C12H14Cl2N2O2 — CID 108940761

IUPACN'-(2,6-dichlorophenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-6-15-10(17)7-11(18)16-12-8(13)4-3-5-9(12)14/h3-5H,2,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeySOKBBGKXBWRKII-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.85
Rot. Bonds5

About N'-(2,6-dichlorophenyl)-N-propylpropanediamide

N'-(2,6-dichlorophenyl)-N-propylpropanediamide (PubChem CID 108940761) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-propylpropanediamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-propylpropanediamide
PubChem CID108940761
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN'-(2,6-dichlorophenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-2-6-15-10(17)7-11(18)16-12-8(13)4-3-5-9(12)14/h3-5H,2,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeySOKBBGKXBWRKII-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide
CID 87018474
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
CID 113001397
N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide
CID 108954078
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108954677
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-propylpropanediamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-propylpropanediamide (CID 108940761) is N'-(2,6-dichlorophenyl)-N-propylpropanediamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-propylpropanediamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-propylpropanediamide is CCCNC(=O)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-propylpropanediamide?
The InChIKey is SOKBBGKXBWRKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-2-6-15-10(17)7-11(18)16-12-8(13)4-3-5-9(12)14/h3-5H,2,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,6-dichlorophenyl)-N-propylpropanediamide?
N'-(2,6-dichlorophenyl)-N-propylpropanediamide has a molecular weight of 289.16 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-propylpropanediamide is sourced from PubChem (CID 108940761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).