N-[2-(3,5-dichlorophenyl)ethyl]butanamide

C12H15Cl2NO — CID 110478600

IUPACN-[2-(3,5-dichlorophenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-12(16)15-5-4-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyIGIZJEAUHVVZKW-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.45
Rot. Bonds5

About N-[2-(3,5-dichlorophenyl)ethyl]butanamide

N-[2-(3,5-dichlorophenyl)ethyl]butanamide (PubChem CID 110478600) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)ethyl]butanamide
PubChem CID110478600
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-[2-(3,5-dichlorophenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-2-3-12(16)15-5-4-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyIGIZJEAUHVVZKW-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide
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N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-(2-phenylethyl)butanamide;sulfuryl dichloride
CID 163813551
N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
CID 100742829
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354
1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47442422
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
CID 69182329

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]butanamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]butanamide (CID 110478600) is N-[2-(3,5-dichlorophenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)ethyl]butanamide is CCCC(=O)NCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)ethyl]butanamide?
The InChIKey is IGIZJEAUHVVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-2-3-12(16)15-5-4-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of N-[2-(3,5-dichlorophenyl)ethyl]butanamide?
N-[2-(3,5-dichlorophenyl)ethyl]butanamide has a molecular weight of 260.16 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)ethyl]butanamide is sourced from PubChem (CID 110478600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).