3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide

C18H19Cl2NO — CID 100597681

IUPAC3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO/c1-12-5-3-4-6-15(12)13(2)21-18(22)10-8-14-7-9-16(19)17(20)11-14/h3-7,9,11,13H,8,10H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyNXVGRPXJXYYMBG-CYBMUJFWSA-N
MW336.26 g/mol
LogP5.11
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide

3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide (PubChem CID 100597681) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
PubChem CID100597681
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2NO/c1-12-5-3-4-6-15(12)13(2)21-18(22)10-8-14-7-9-16(19)17(20)11-14/h3-7,9,11,13H,8,10H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyNXVGRPXJXYYMBG-CYBMUJFWSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 115341658
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
3-(3,4-dichlorophenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 100598401
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883
2-[3-(3,4-dichlorophenyl)propanoylamino]propanoic acid
CID 119225556
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
3-(3,4-dichlorophenyl)-N-(2,6-dimethylphenyl)propanamide
CID 100593249
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide (CID 100597681) is 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is NXVGRPXJXYYMBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-12-5-3-4-6-15(12)13(2)21-18(22)10-8-14-7-9-16(19)17(20)11-14/h3-7,9,11,13H,8,10H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide?
3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 336.26 g/mol, XLogP of 5.11, 5 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-[(1R)-1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 100597681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).