3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide

C19H21Cl2NO — CID 133225019

IUPAC3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H21Cl2NO/c1-12-7-8-13(2)16(11-12)14(3)22-19(23)10-9-15-17(20)5-4-6-18(15)21/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)
InChIKeyPBAVANQOMJWUSY-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.42
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide

3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide (PubChem CID 133225019) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
PubChem CID133225019
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H21Cl2NO/c1-12-7-8-13(2)16(11-12)14(3)22-19(23)10-9-15-17(20)5-4-6-18(15)21/h4-8,11,14H,9-10H2,1-3H3,(H,22,23)
InChIKeyPBAVANQOMJWUSY-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide 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

N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 132652863
2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132652858
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]butanamide
CID 99132553
3-(2,6-dichlorophenyl)-N-[(R)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100602252
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28567054

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide (CID 133225019) is 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide is Cc1ccc(C)c(C(C)NC(=O)CCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The InChIKey is PBAVANQOMJWUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-12-7-8-13(2)16(11-12)14(3)22-19(23)10-9-15-17(20)5-4-6-18(15)21/h4-8,11,14H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide has a molecular weight of 350.29 g/mol, XLogP of 5.42, 5 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-[1-(2,5-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 133225019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).