2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide

C15H20Cl2N2O2 — CID 132651489

IUPAC2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide
SMILESCCC(=O)N(Cc1c(Cl)cccc1Cl)C(CC)C(=O)NC
InChIInChI=1S/C15H20Cl2N2O2/c1-4-13(15(21)18-3)19(14(20)5-2)9-10-11(16)7-6-8-12(10)17/h6-8,13H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyZSYFGFMUXAXOIB-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.26
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide

2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide (PubChem CID 132651489) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide
PubChem CID132651489
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide
SMILESCCC(=O)N(Cc1c(Cl)cccc1Cl)C(CC)C(=O)NC
InChIInChI=1S/C15H20Cl2N2O2/c1-4-13(15(21)18-3)19(14(20)5-2)9-10-11(16)7-6-8-12(10)17/h6-8,13H,4-5,9H2,1-3H3,(H,18,21)
InChIKeyZSYFGFMUXAXOIB-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-propanoylamino]-N-methylbutanamide
CID 132650062
2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-methylbutanamide
CID 132662983
2-[[2-(2-tert-butylphenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-methylbutanamide
CID 132676604
2-[(2,6-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbutanamide
CID 132681302
2-[(2,6-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)anilino]acetyl]amino]-N-methylbutanamide
CID 132682315
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methylbutanamide
CID 132663911
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2,6-dichlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 100742824
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100603825
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-methylbutanamide
CID 132692410
2-[(2,6-dichlorophenyl)methyl-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-methylbutanamide
CID 132682479
(2S)-2-[(2-chlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100570597
(2R)-2-[(2,6-dichlorophenyl)methyl-[4-(4-ethyl-N-methylsulfonylanilino)butanoyl]amino]-N-methylbutanamide
CID 125067194

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide (CID 132651489) is 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide is CCC(=O)N(Cc1c(Cl)cccc1Cl)C(CC)C(=O)NC.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide?
The InChIKey is ZSYFGFMUXAXOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-4-13(15(21)18-3)19(14(20)5-2)9-10-11(16)7-6-8-12(10)17/h6-8,13H,4-5,9H2,1-3H3,(H,18,21).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide?
2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide has a molecular weight of 331.24 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-propanoylamino]-N-methylbutanamide is sourced from PubChem (CID 132651489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).