2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide

C19H21Cl2NO2 — CID 99993779

IUPAC2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1C
InChIInChI=1S/C19H21Cl2NO2/c1-4-17(15-7-5-12(2)9-13(15)3)22-19(23)11-24-18-8-6-14(20)10-16(18)21/h5-10,17H,4,11H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyRNDHIQIBLDJFDL-QGZVFWFLSA-N
MW366.29 g/mol
LogP5.26
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide (PubChem CID 99993779) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
PubChem CID99993779
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1C
InChIInChI=1S/C19H21Cl2NO2/c1-4-17(15-7-5-12(2)9-13(15)3)22-19(23)11-24-18-8-6-14(20)10-16(18)21/h5-10,17H,4,11H2,1-3H3,(H,22,23)/t17-/m1/s1
InChIKeyRNDHIQIBLDJFDL-QGZVFWFLSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 132652053
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43876879
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 55440377
2-(4-tert-butylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132653395
2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132652855
2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327655
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide (CID 99993779) is 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide is CC[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
The InChIKey is RNDHIQIBLDJFDL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-4-17(15-7-5-12(2)9-13(15)3)22-19(23)11-24-18-8-6-14(20)10-16(18)21/h5-10,17H,4,11H2,1-3H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide has a molecular weight of 366.29 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 99993779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).