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

C19H21Cl2NO — CID 100608718

IUPAC3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C19H21Cl2NO/c1-12-4-5-16(10-13(12)2)14(3)22-19(23)9-7-15-6-8-17(20)11-18(15)21/h4-6,8,10-11,14H,7,9H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyQRPLDKUAFDNGGN-CQSZACIVSA-N
MW350.29 g/mol
LogP5.42
Rot. Bonds5

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

3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide (PubChem CID 100608718) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
PubChem CID100608718
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C19H21Cl2NO/c1-12-4-5-16(10-13(12)2)14(3)22-19(23)9-7-15-6-8-17(20)11-18(15)21/h4-6,8,10-11,14H,7,9H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyQRPLDKUAFDNGGN-CQSZACIVSA-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

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Related Compounds

3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711196
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30246628
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 98697568
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid
CID 43356411
(E)-3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]prop-2-enamide
CID 94843398
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide (CID 100608718) is 3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide?
The InChIKey is QRPLDKUAFDNGGN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-12-4-5-16(10-13(12)2)14(3)22-19(23)9-7-15-6-8-17(20)11-18(15)21/h4-6,8,10-11,14H,7,9H2,1-3H3,(H,22,23)/t14-/m1/s1.
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide?
3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-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-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 100608718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).