N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide

C13H16Cl2N2O2 — CID 108941910

IUPACN'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
SMILESCCC(C)NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-3-8(2)16-12(18)7-13(19)17-11-5-4-9(14)6-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLMCDGJLVLNLYFF-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.24
Rot. Bonds5

About N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide

N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide (PubChem CID 108941910) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
PubChem CID108941910
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
SMILESCCC(C)NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-3-8(2)16-12(18)7-13(19)17-11-5-4-9(14)6-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyLMCDGJLVLNLYFF-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.24
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'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
N-(2,4-dichlorophenyl)propanamide
CID 923083
1-N-butan-2-yl-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131774
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
5-(2,4-dichloroanilino)-2-ethyl-5-oxopentanoic acid
CID 3527974
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
3-(N-acetyl-2,4-dichloroanilino)-N-butan-2-ylpropanamide
CID 113133839

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide?
The IUPAC name of N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide (CID 108941910) is N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide.
What is the SMILES notation for N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide?
The canonical SMILES for N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide is CCC(C)NC(=O)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide?
The InChIKey is LMCDGJLVLNLYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-3-8(2)16-12(18)7-13(19)17-11-5-4-9(14)6-10(11)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide?
N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide has a molecular weight of 303.19 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide is sourced from PubChem (CID 108941910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).