2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide

C13H19ClN2O3 — CID 54819347

IUPAC2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-18-7-3-6-15-13(17)9-16-10-4-5-12(19-2)11(14)8-10/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyOEMAZUFZRQIDTO-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.91
Rot. Bonds8

About 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide

2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 54819347) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
PubChem CID54819347
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O3/c1-18-7-3-6-15-13(17)9-16-10-4-5-12(19-2)11(14)8-10/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyOEMAZUFZRQIDTO-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

2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
CID 87029646
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
2-(1,3-benzodioxol-5-ylamino)-N-(3-methoxypropyl)acetamide
CID 60646621
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 71910467
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide (CID 54819347) is 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is OEMAZUFZRQIDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-18-7-3-6-15-13(17)9-16-10-4-5-12(19-2)11(14)8-10/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide?
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide 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 2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 54819347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).