3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide

C13H15Cl2NO3 — CID 55098579

IUPAC3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)16-12(18)3-4-19-13-9(7-17)5-10(14)6-11(13)15/h5-8H,3-4H2,1-2H3,(H,16,18)
InChIKeyUOCCFTIZBLDRHP-UHFFFAOYSA-N
MW304.17 g/mol
LogP3.10
Rot. Bonds6

About 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide

3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 55098579) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
PubChem CID55098579
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1c(Cl)cc(Cl)cc1C=O
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)16-12(18)3-4-19-13-9(7-17)5-10(14)6-11(13)15/h5-8H,3-4H2,1-2H3,(H,16,18)
InChIKeyUOCCFTIZBLDRHP-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 62625897
N-cyclopropyl-3-(2,4-dichloro-6-formylphenoxy)propanamide
CID 62627392
3,5-dichloro-2-(3-methylbutoxy)benzaldehyde
CID 43515922
N-butan-2-yl-2-(2,4-dichloro-6-formylphenoxy)acetamide
CID 43516026
3,5-dichloro-2-(2-propan-2-ylsulfonylethoxy)benzaldehyde
CID 106725141
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
3,5-dichloro-2-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355476
3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 55204374
3,5-dichloro-2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]benzaldehyde
CID 106990833
tert-butyl 2-(2,4-dichloro-6-formylphenoxy)acetate
CID 18353685
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide (CID 55098579) is 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1c(Cl)cc(Cl)cc1C=O.
What is the InChIKey of 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is UOCCFTIZBLDRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(2)16-12(18)3-4-19-13-9(7-17)5-10(14)6-11(13)15/h5-8H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide?
3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 304.17 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 55098579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).