N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide

C12H15Cl3N2O2 — CID 61486510

IUPACN-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
SMILESCOCCCNC(=O)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O2/c1-19-4-2-3-16-11(18)7-17-12-9(14)5-8(13)6-10(12)15/h5-6,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyGTHMIUXLEWGIID-UHFFFAOYSA-N
MW325.62 g/mol
LogP3.21
Rot. Bonds7

About N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide

N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide (PubChem CID 61486510) has the molecular formula C12H15Cl3N2O2 and a molecular weight of 325.62 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
PubChem CID61486510
Molecular FormulaC12H15Cl3N2O2
Molecular Weight325.62 g/mol
Exact Mass324.02
IUPAC NameN-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
SMILESCOCCCNC(=O)CNc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O2/c1-19-4-2-3-16-11(18)7-17-12-9(14)5-8(13)6-10(12)15/h5-6,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyGTHMIUXLEWGIID-UHFFFAOYSA-N
XLogP3.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
N-(3-methoxypropyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54811773
N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
CID 107644367
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
3-(3,5-dichlorophenyl)-3-hydroxy-N-(3-methoxypropyl)propanamide
CID 111664681

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide (CID 61486510) is N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide is COCCCNC(=O)CNc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide?
The InChIKey is GTHMIUXLEWGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O2/c1-19-4-2-3-16-11(18)7-17-12-9(14)5-8(13)6-10(12)15/h5-6,17H,2-4,7H2,1H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide?
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide has a molecular weight of 325.62 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide is sourced from PubChem (CID 61486510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).