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

C19H23ClN2O2 — CID 109025290

IUPAC3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1ccc(Cl)cc1C
InChIInChI=1S/C19H23ClN2O2/c1-14-13-16(20)7-8-17(14)21-12-10-19(23)22-11-9-15-5-3-4-6-18(15)24-2/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeyYDZAOVHKTLAPMG-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.82
Rot. Bonds8

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

3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 109025290) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID109025290
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1ccc(Cl)cc1C
InChIInChI=1S/C19H23ClN2O2/c1-14-13-16(20)7-8-17(14)21-12-10-19(23)22-11-9-15-5-3-4-6-18(15)24-2/h3-8,13,21H,9-12H2,1-2H3,(H,22,23)
InChIKeyYDZAOVHKTLAPMG-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

3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025345
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027769
3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025293
methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109025317
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 109020765
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000826
N-(5-chloro-2-methylphenyl)-N'-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964304
4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110411382
3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024771
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016265
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 109025290) is 3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCNc1ccc(Cl)cc1C.
What is the InChIKey of 3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is YDZAOVHKTLAPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14-13-16(20)7-8-17(14)21-12-10-19(23)22-11-9-15-5-3-4-6-18(15)24-2/h3-8,13,21H,9-12H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-(4-chloro-2-methylanilino)-N-[2-(2-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-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).