3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide

C18H21ClN2O3 — CID 109038452

IUPAC3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C18H21ClN2O3/c1-12-4-5-13(19)10-15(12)20-9-8-18(22)21-14-6-7-16(23-2)17(11-14)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyMSCNTEPRECZJJG-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.11
Rot. Bonds7

About 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide

3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 109038452) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID109038452
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(Cl)ccc2C)cc1OC
InChIInChI=1S/C18H21ClN2O3/c1-12-4-5-13(19)10-15(12)20-9-8-18(22)21-14-6-7-16(23-2)17(11-14)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyMSCNTEPRECZJJG-UHFFFAOYSA-N
XLogP4.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
N-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038437
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide (CID 109038452) is 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2cc(Cl)ccc2C)cc1OC.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is MSCNTEPRECZJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-12-4-5-13(19)10-15(12)20-9-8-18(22)21-14-6-7-16(23-2)17(11-14)24-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide?
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 348.83 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109038452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).