2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide

C14H20Cl2N2O2 — CID 107497904

IUPAC2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C14H20Cl2N2O2/c1-5-14(3,4)18-13(19)8(2)20-12-7-10(16)9(15)6-11(12)17/h6-8H,5,17H2,1-4H3,(H,18,19)
InChIKeyFFGNEEODWBMGMD-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide

2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 107497904) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
PubChem CID107497904
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C14H20Cl2N2O2/c1-5-14(3,4)18-13(19)8(2)20-12-7-10(16)9(15)6-11(12)17/h6-8H,5,17H2,1-4H3,(H,18,19)
InChIKeyFFGNEEODWBMGMD-UHFFFAOYSA-N
XLogP3.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-amino-4,5-dichlorophenoxy)propanoate
CID 107498115
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 114321631
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321456
2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 114322624
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63325105
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 62369855
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
3-bromo-4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 63052137
2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 63325789
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide (CID 107497904) is 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1cc(Cl)c(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is FFGNEEODWBMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-5-14(3,4)18-13(19)8(2)20-12-7-10(16)9(15)6-11(12)17/h6-8H,5,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide?
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 319.23 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 107497904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).