N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide

C14H19Cl2NO — CID 112792521

IUPACN-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
SMILESCCCC(C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-4-5-10(2)14(18)17(3)9-11-6-7-12(15)13(16)8-11/h6-8,10H,4-5,9H2,1-3H3
InChIKeyBJTPTURTTIQELR-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.39
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide

N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide (PubChem CID 112792521) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
PubChem CID112792521
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
SMILESCCCC(C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-4-5-10(2)14(18)17(3)9-11-6-7-12(15)13(16)8-11/h6-8,10H,4-5,9H2,1-3H3
InChIKeyBJTPTURTTIQELR-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
N-[(3,4-dichlorophenyl)methyl]-N-heptan-2-ylcarbamoyl iodide
CID 142120865
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide (CID 112792521) is N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide is CCCC(C)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide?
The InChIKey is BJTPTURTTIQELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-4-5-10(2)14(18)17(3)9-11-6-7-12(15)13(16)8-11/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide?
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide has a molecular weight of 288.22 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide is sourced from PubChem (CID 112792521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).