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

C19H22ClNO — CID 100589534

IUPAC3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H22ClNO/c1-13-4-10-18(14(2)12-13)15(3)21-19(22)11-7-16-5-8-17(20)9-6-16/h4-6,8-10,12,15H,7,11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyJQLCMINTDVILCS-OAHLLOKOSA-N
MW315.84 g/mol
LogP4.77
Rot. Bonds5

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

3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide (PubChem CID 100589534) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
PubChem CID100589534
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H22ClNO/c1-13-4-10-18(14(2)12-13)15(3)21-19(22)11-7-16-5-8-17(20)9-6-16/h4-6,8-10,12,15H,7,11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyJQLCMINTDVILCS-OAHLLOKOSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 99132998
3-(3H-benzimidazol-5-yl)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 53131402
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
CID 82011319

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide (CID 100589534) is 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The InChIKey is JQLCMINTDVILCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-13-4-10-18(14(2)12-13)15(3)21-19(22)11-7-16-5-8-17(20)9-6-16/h4-6,8-10,12,15H,7,11H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide has a molecular weight of 315.84 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 100589534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).