3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C19H23ClN2O2 — CID 109025804

IUPAC3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14-3-6-16(20)13-18(14)21-12-10-19(23)22-11-9-15-4-7-17(24-2)8-5-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeyOGOBEPMKKMCGMF-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.82
Rot. Bonds8

About 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 109025804) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID109025804
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14-3-6-16(20)13-18(14)21-12-10-19(23)22-11-9-15-4-7-17(24-2)8-5-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeyOGOBEPMKKMCGMF-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027769
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119549697
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246
3-(2-bromoanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025842
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025846

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 109025804) is 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCNc2cc(Cl)ccc2C)cc1.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is OGOBEPMKKMCGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14-3-6-16(20)13-18(14)21-12-10-19(23)22-11-9-15-4-7-17(24-2)8-5-15/h3-8,13,21H,9-12H2,1-2H3,(H,22,23).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 346.86 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).