3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide

C20H23Cl2NO2 — CID 100604900

IUPAC3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H23Cl2NO2/c1-4-18(14-8-10-19(25-3)13(2)12-14)23-20(24)11-9-15-16(21)6-5-7-17(15)22/h5-8,10,12,18H,4,9,11H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKeySZVUKSGMHAGCAJ-SFHVURJKSA-N
MW380.32 g/mol
LogP5.51
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide

3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide (PubChem CID 100604900) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
PubChem CID100604900
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H23Cl2NO2/c1-4-18(14-8-10-19(25-3)13(2)12-14)23-20(24)11-9-15-16(21)6-5-7-17(15)22/h5-8,10,12,18H,4,9,11H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKeySZVUKSGMHAGCAJ-SFHVURJKSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202334
N-[1-(4-methoxy-3-methylphenyl)propyl]-3-naphthalen-1-ylpropanamide
CID 133161421
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 133210054
3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100597392
2-(2-chloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161076
2-(4-ethylphenyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100585229
2-(4-ethylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202725
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100603883
5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133164754
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-phenylphenyl)acetamide
CID 100517764

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide (CID 100604900) is 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide is CC[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The InChIKey is SZVUKSGMHAGCAJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-4-18(14-8-10-19(25-3)13(2)12-14)23-20(24)11-9-15-16(21)6-5-7-17(15)22/h5-8,10,12,18H,4,9,11H2,1-3H3,(H,23,24)/t18-/m0/s1.
What are the key properties of 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide has a molecular weight of 380.32 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide is sourced from PubChem (CID 100604900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).