N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide

C14H17ClN2O2 — CID 108941280

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-4-5-16-12(18)8-13(19)17-14-10(3)6-9(2)7-11(14)15/h4,6-7H,1,5,8H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyHASQQDYSPUSQEH-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.59
Rot. Bonds5

About N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide

N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide (PubChem CID 108941280) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide
PubChem CID108941280
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide
SMILESC=CCNC(=O)CC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-4-5-16-12(18)8-13(19)17-14-10(3)6-9(2)7-11(14)15/h4,6-7H,1,5,8H2,2-3H3,(H,16,18)(H,17,19)
InChIKeyHASQQDYSPUSQEH-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.59
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

N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N'-(2-chloro-4,6-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945626
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466438
N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108955386
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 108995128
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide (CID 108941280) is N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide is C=CCNC(=O)CC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide?
The InChIKey is HASQQDYSPUSQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-5-16-12(18)8-13(19)17-14-10(3)6-9(2)7-11(14)15/h4,6-7H,1,5,8H2,2-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide?
N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide has a molecular weight of 280.75 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide is sourced from PubChem (CID 108941280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).