2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide

C12H15Cl2NO2 — CID 47109802

IUPAC2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-7(2)15-12(16)8(3)17-9-4-5-10(13)11(14)6-9/h4-8H,1-3H3,(H,15,16)
InChIKeyHJKVUWYEXOFHDX-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.29
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide

2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide (PubChem CID 47109802) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
PubChem CID47109802
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-7(2)15-12(16)8(3)17-9-4-5-10(13)11(14)6-9/h4-8H,1-3H3,(H,15,16)
InChIKeyHJKVUWYEXOFHDX-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8580031
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82915898
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
N-[1-(4-cyanophenyl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 55793168
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3,4-dichlorobenzoate
CID 9487944
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide (CID 47109802) is 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is HJKVUWYEXOFHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-7(2)15-12(16)8(3)17-9-4-5-10(13)11(14)6-9/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide?
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 276.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 47109802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).