3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide

C18H19Cl2NO2 — CID 100609739

IUPAC3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-12(15-5-3-4-6-17(15)23-2)21-18(22)10-8-13-7-9-14(19)11-16(13)20/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyVTZFNNMREJGTGS-LBPRGKRZSA-N
MW352.26 g/mol
LogP4.81
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide

3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 100609739) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID100609739
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-12(15-5-3-4-6-17(15)23-2)21-18(22)10-8-13-7-9-14(19)11-16(13)20/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyVTZFNNMREJGTGS-LBPRGKRZSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylpropanamide
CID 133184843
3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 100608718
3-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 26618385
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
2-(4-chloro-2-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7936549
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38149207

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide (CID 100609739) is 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1[C@H](C)NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is VTZFNNMREJGTGS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-12(15-5-3-4-6-17(15)23-2)21-18(22)10-8-13-7-9-14(19)11-16(13)20/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide?
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 352.26 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 100609739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).