3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide

C13H19ClN2O3 — CID 109015076

IUPAC3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-18-8-7-16-13(17)5-6-15-10-3-4-12(19-2)11(14)9-10/h3-4,9,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyRBESHESLCIVFKE-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.91
Rot. Bonds8

About 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide

3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 109015076) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
PubChem CID109015076
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-18-8-7-16-13(17)5-6-15-10-3-4-12(19-2)11(14)9-10/h3-4,9,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyRBESHESLCIVFKE-UHFFFAOYSA-N
XLogP1.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 110767026
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
methyl 4-[3-(3-chloro-4-methoxyanilino)propanoylamino]benzoate
CID 109039039
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
ethyl 3-(3-chloro-4-methoxyanilino)propanoate
CID 43174181
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
3-chloro-4-methoxy-N-(3-methylbut-3-enyl)aniline
CID 114471881
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 109036116

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide (CID 109015076) is 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is RBESHESLCIVFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-8-7-16-13(17)5-6-15-10-3-4-12(19-2)11(14)9-10/h3-4,9,15H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide?
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 286.76 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 109015076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).