3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide

C14H19Cl2NO — CID 133225006

IUPAC3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-3-5-10(2)17-14(18)9-8-11-12(15)6-4-7-13(11)16/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,18)
InChIKeyJHDFFYRIBLQQEA-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.23
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide

3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide (PubChem CID 133225006) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
PubChem CID133225006
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-3-5-10(2)17-14(18)9-8-11-12(15)6-4-7-13(11)16/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,18)
InChIKeyJHDFFYRIBLQQEA-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 133225048
3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133225046
1-(2,6-dichlorophenyl)-4-methylpentan-3-one
CID 43175854
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 133225019
3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100603883
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 133209724
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100602252
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
3-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoic acid
CID 43092444

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide (CID 133225006) is 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide?
The InChIKey is JHDFFYRIBLQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-3-5-10(2)17-14(18)9-8-11-12(15)6-4-7-13(11)16/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide?
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide has a molecular weight of 288.22 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 133225006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).