N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide

C13H17ClFNO2 — CID 113219152

IUPACN-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1F)C(=O)NC(C)(C)C
InChIInChI=1S/C13H17ClFNO2/c1-8(12(17)16-13(2,3)4)18-11-6-5-9(14)7-10(11)15/h5-8H,1-4H3,(H,16,17)
InChIKeyFSGNDFNIFYNMRE-UHFFFAOYSA-N
MW273.74 g/mol
LogP3.16
Rot. Bonds3

About N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide

N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide (PubChem CID 113219152) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.74 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide
PubChem CID113219152
Molecular FormulaC13H17ClFNO2
Molecular Weight273.74 g/mol
Exact Mass273.09
IUPAC NameN-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1F)C(=O)NC(C)(C)C
InChIInChI=1S/C13H17ClFNO2/c1-8(12(17)16-13(2,3)4)18-11-6-5-9(14)7-10(11)15/h5-8H,1-4H3,(H,16,17)
InChIKeyFSGNDFNIFYNMRE-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
CID 107692686
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
3-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 64672107
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 119606020
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 11262655
5-bromo-2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43088976
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
4-[2-(2,4-dichlorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 119203778
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 8737778

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide?
The IUPAC name of N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide (CID 113219152) is N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide.
What is the SMILES notation for N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide?
The canonical SMILES for N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1F)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide?
The InChIKey is FSGNDFNIFYNMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-8(12(17)16-13(2,3)4)18-11-6-5-9(14)7-10(11)15/h5-8H,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide?
N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide has a molecular weight of 273.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide is sourced from PubChem (CID 113219152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).