3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide

C18H21ClN2O4 — CID 109039398

IUPAC3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1cc(NCCC(=O)Nc2ccccc2OC)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN2O4/c1-23-15-7-5-4-6-13(15)21-18(22)8-9-20-14-11-16(24-2)12(19)10-17(14)25-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyMMFREMBLTBIXIO-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.81
Rot. Bonds8

About 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide

3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide (PubChem CID 109039398) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
PubChem CID109039398
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1cc(NCCC(=O)Nc2ccccc2OC)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN2O4/c1-23-15-7-5-4-6-13(15)21-18(22)8-9-20-14-11-16(24-2)12(19)10-17(14)25-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22)
InChIKeyMMFREMBLTBIXIO-UHFFFAOYSA-N
XLogP3.81
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-chloro-2-methylanilino)propanamide
CID 109038365
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
methyl 2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039100

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide (CID 109039398) is 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide is COc1cc(NCCC(=O)Nc2ccccc2OC)c(OC)cc1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is MMFREMBLTBIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-23-15-7-5-4-6-13(15)21-18(22)8-9-20-14-11-16(24-2)12(19)10-17(14)25-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide?
3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 364.83 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 109039398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).