3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide

C19H21Cl2NO — CID 133225048

IUPAC3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)CCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO/c1-3-14-7-9-15(10-8-14)13(2)22-19(23)12-11-16-17(20)5-4-6-18(16)21/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyUSGKTCMWMLYKMV-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.37
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide

3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide (PubChem CID 133225048) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
PubChem CID133225048
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(C)NC(=O)CCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO/c1-3-14-7-9-15(10-8-14)13(2)22-19(23)12-11-16-17(20)5-4-6-18(16)21/h4-10,13H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyUSGKTCMWMLYKMV-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 100598401
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
3-(2-ethoxyphenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134049400
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820326
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide (CID 133225048) is 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide is CCc1ccc(C(C)NC(=O)CCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is USGKTCMWMLYKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-3-14-7-9-15(10-8-14)13(2)22-19(23)12-11-16-17(20)5-4-6-18(16)21/h4-10,13H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide?
3-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide has a molecular weight of 350.29 g/mol, XLogP of 5.37, 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-[1-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 133225048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).