3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide

C13H18Cl2N2O2 — CID 109015481

IUPAC3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-19-9-3-7-17-12(18)6-8-16-11-5-2-4-10(14)13(11)15/h2,4-5,16H,3,6-9H2,1H3,(H,17,18)
InChIKeyRJXHMRDMRPHEGP-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.95
Rot. Bonds8

About 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide

3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 109015481) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
PubChem CID109015481
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCNc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-19-9-3-7-17-12(18)6-8-16-11-5-2-4-10(14)13(11)15/h2,4-5,16H,3,6-9H2,1H3,(H,17,18)
InChIKeyRJXHMRDMRPHEGP-UHFFFAOYSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.95
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

3-(2,3-dichloroanilino)-N-(3-methylbutyl)propanamide
CID 109031980
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
methyl 4-chloro-3-[[3-(3-methoxypropylamino)-3-oxopropyl]amino]benzoate
CID 109015451
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
CID 109027992
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
3-(2,3-dichloroanilino)propanamide
CID 43152512
2-(2,3-dichloroanilino)-N-heptylacetamide
CID 54816059
N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
CID 620497
2-(2,3-dichloroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995350

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide (CID 109015481) is 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCNc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is RJXHMRDMRPHEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-19-9-3-7-17-12(18)6-8-16-11-5-2-4-10(14)13(11)15/h2,4-5,16H,3,6-9H2,1H3,(H,17,18).
What are the key properties of 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide?
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 305.20 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 109015481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).