N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide

C15H22F2N2O — CID 103878479

IUPACN-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide
SMILESCC(NC(C)c1cccc(F)c1F)C(=O)NC(C)(C)C
InChIInChI=1S/C15H22F2N2O/c1-9(11-7-6-8-12(16)13(11)17)18-10(2)14(20)19-15(3,4)5/h6-10,18H,1-5H3,(H,19,20)
InChIKeyCZWXERAOLZREAJ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.92
Rot. Bonds4

About N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide

N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide (PubChem CID 103878479) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide
PubChem CID103878479
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide
SMILESCC(NC(C)c1cccc(F)c1F)C(=O)NC(C)(C)C
InChIInChI=1S/C15H22F2N2O/c1-9(11-7-6-8-12(16)13(11)17)18-10(2)14(20)19-15(3,4)5/h6-10,18H,1-5H3,(H,19,20)
InChIKeyCZWXERAOLZREAJ-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propanamide
CID 51925554
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115897219
N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
CID 115581036
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
N-tert-butyl-2-(2-cyano-3-fluoroanilino)propanamide
CID 43580684
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103924841
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide (CID 103878479) is N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide is CC(NC(C)c1cccc(F)c1F)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide?
The InChIKey is CZWXERAOLZREAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-9(11-7-6-8-12(16)13(11)17)18-10(2)14(20)19-15(3,4)5/h6-10,18H,1-5H3,(H,19,20).
What are the key properties of N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide?
N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide has a molecular weight of 284.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 103878479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).