3-(3,4-dichlorophenyl)-N,N-diethylpropanamide

C13H17Cl2NO — CID 5235671

IUPAC3-(3,4-dichlorophenyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-3-16(4-2)13(17)8-6-10-5-7-11(14)12(15)9-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyBFHRGATUTRRSQC-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.79
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide

3-(3,4-dichlorophenyl)-N,N-diethylpropanamide (PubChem CID 5235671) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-diethylpropanamide
PubChem CID5235671
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-(3,4-dichlorophenyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-3-16(4-2)13(17)8-6-10-5-7-11(14)12(15)9-10/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyBFHRGATUTRRSQC-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rel-3,4-Dichloro-N-methyl-N-((1R,2R)-2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 3036289
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)benzeneacetamide
CID 5619
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
CID 6604724
Lpk-26
CID 10043746
BRL 52537 hydrochloride
CID 11315337
2-(3,4-Dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone
CID 5244802
2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 6603740
(-)-U-50488 Hydrochloride
CID 9931141
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-methyl-pyrrolidin-2-yl)-piperidin-1-yl]-ethanone(HCl)
CID 14810996
2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 21328050
1-[(3S)-4-[2-(3,4-dichlorophenyl)acetyl]-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]propan-1-one
CID 10342393

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide (CID 5235671) is 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide is CCN(CC)C(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide?
The InChIKey is BFHRGATUTRRSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-16(4-2)13(17)8-6-10-5-7-11(14)12(15)9-10/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide?
3-(3,4-dichlorophenyl)-N,N-diethylpropanamide has a molecular weight of 274.19 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N,N-diethylpropanamide is sourced from PubChem (CID 5235671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).