3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

C19H21Cl2NO3 — CID 43077905

IUPAC3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C19H21Cl2NO3/c1-12(15-11-14(24-2)8-9-17(15)25-3)22-18(23)10-7-13-5-4-6-16(20)19(13)21/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,22,23)
InChIKeyKILRNESCNVSXIL-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.82
Rot. Bonds7

About 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 43077905) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID43077905
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C19H21Cl2NO3/c1-12(15-11-14(24-2)8-9-17(15)25-3)22-18(23)10-7-13-5-4-6-16(20)19(13)21/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,22,23)
InChIKeyKILRNESCNVSXIL-UHFFFAOYSA-N
XLogP4.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
2-(2,3-dichlorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9286615
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55409417
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 43077905) is 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1ccc(OC)c(C(C)NC(=O)CCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is KILRNESCNVSXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-12(15-11-14(24-2)8-9-17(15)25-3)22-18(23)10-7-13-5-4-6-16(20)19(13)21/h4-6,8-9,11-12H,7,10H2,1-3H3,(H,22,23).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 382.29 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 43077905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).