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

C19H21Cl2NO — CID 100598401

IUPAC3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2NO/c1-3-14-4-8-16(9-5-14)13(2)22-19(23)11-7-15-6-10-17(20)18(21)12-15/h4-6,8-10,12-13H,3,7,11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyADAUYIPQCPWCBB-ZDUSSCGKSA-N
MW350.29 g/mol
LogP5.37
Rot. Bonds6

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

3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide (PubChem CID 100598401) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
PubChem CID100598401
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2NO/c1-3-14-4-8-16(9-5-14)13(2)22-19(23)11-7-15-6-10-17(20)18(21)12-15/h4-6,8-10,12-13H,3,7,11H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeyADAUYIPQCPWCBB-ZDUSSCGKSA-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-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 133225048
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
2-[3-(3,4-dichlorophenyl)propanoylamino]propanoic acid
CID 119225556
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 94064618
3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 100597681
3-(3,4-dichlorophenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]propanamide
CID 133220736
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 7948932
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide (CID 100598401) is 3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide is CCc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is ADAUYIPQCPWCBB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-3-14-4-8-16(9-5-14)13(2)22-19(23)11-7-15-6-10-17(20)18(21)12-15/h4-6,8-10,12-13H,3,7,11H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide?
3-(3,4-dichlorophenyl)-N-[(1S)-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-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 100598401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).