3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide

C18H20Cl2N2O2 — CID 109025597

IUPAC3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-24-15-4-2-3-13(11-15)7-9-22-18(23)8-10-21-14-5-6-16(19)17(20)12-14/h2-6,11-12,21H,7-10H2,1H3,(H,22,23)
InChIKeyLOYOCHUXOLQVCQ-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.16
Rot. Bonds8

About 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide

3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 109025597) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID109025597
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-24-15-4-2-3-13(11-15)7-9-22-18(23)8-10-21-14-5-6-16(19)17(20)12-14/h2-6,11-12,21H,7-10H2,1H3,(H,22,23)
InChIKeyLOYOCHUXOLQVCQ-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 109025643
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 109025597) is 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCNc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is LOYOCHUXOLQVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-24-15-4-2-3-13(11-15)7-9-22-18(23)8-10-21-14-5-6-16(19)17(20)12-14/h2-6,11-12,21H,7-10H2,1H3,(H,22,23).
What are the key properties of 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 367.28 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).