2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide

C13H14F4N2O2 — CID 103290058

IUPAC2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESCC(COc1c(F)c(F)cc(F)c1F)(NC1CC1)C(N)=O
InChIInChI=1S/C13H14F4N2O2/c1-13(12(18)20,19-6-2-3-6)5-21-11-9(16)7(14)4-8(15)10(11)17/h4,6,19H,2-3,5H2,1H3,(H2,18,20)
InChIKeyLWNVFSAHYFRMPD-UHFFFAOYSA-N
MW306.26 g/mol
LogP1.62
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide

2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide (PubChem CID 103290058) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
PubChem CID103290058
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
SMILESCC(COc1c(F)c(F)cc(F)c1F)(NC1CC1)C(N)=O
InChIInChI=1S/C13H14F4N2O2/c1-13(12(18)20,19-6-2-3-6)5-21-11-9(16)7(14)4-8(15)10(11)17/h4,6,19H,2-3,5H2,1H3,(H2,18,20)
InChIKeyLWNVFSAHYFRMPD-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N1-cyclopropyl-N2-(2-(4-fluorophenoxy)ethyl)oxalamide
CID 45584817
2-[2-(3-Fluorophenoxy)ethyl-propan-2-ylamino]acetamide
CID 47178001
N-cyclopropyl-2-[2-(3,4-difluorophenoxy)ethylcarbamoylamino]acetamide
CID 56782081
2-[2-(2-Fluorophenoxy)ethylamino]-2,4-dimethylpentanamide
CID 72128238
(2S)-2-[2-(2-fluorophenoxy)ethylamino]-2,4-dimethylpentanamide
CID 95775397
(3R)-4-(4-fluorophenoxy)-3-(methylamino)butan-2-one
CID 60045233
2-[2-(4-Fluorophenoxy)ethylamino]propanediamide
CID 67293788
2-[[2,2-Difluoro-2-(4-fluorophenoxy)ethyl]amino]-4,4-difluoropentanamide
CID 67371502
(2R)-N-[[4-(3-fluorophenoxy)cyclohexa-1,5-dien-1-yl]methyl]-3-methoxy-2-(prop-1-en-2-ylamino)propanamide
CID 68399957
2-acetamido-N-[2-ethylidene-5-(3-fluorophenoxy)hexa-3,5-dienyl]-3-methoxypropanamide
CID 123742255
(2S)-2-formamido-N-[2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl]propanamide
CID 139493350
(2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide
CID 141000624

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide (CID 103290058) is 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide is CC(COc1c(F)c(F)cc(F)c1F)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide?
The InChIKey is LWNVFSAHYFRMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c1-13(12(18)20,19-6-2-3-6)5-21-11-9(16)7(14)4-8(15)10(11)17/h4,6,19H,2-3,5H2,1H3,(H2,18,20).
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide?
2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide has a molecular weight of 306.26 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide is sourced from PubChem (CID 103290058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).