2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide

C12H14F4N2O3 — CID 43402355

IUPAC2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
SMILESCC(NCc1ccc(OC(F)F)cc1OC(F)F)C(N)=O
InChIInChI=1S/C12H14F4N2O3/c1-6(10(17)19)18-5-7-2-3-8(20-11(13)14)4-9(7)21-12(15)16/h2-4,6,11-12,18H,5H2,1H3,(H2,17,19)
InChIKeyITMDCAICVJLQFM-UHFFFAOYSA-N
MW310.25 g/mol
LogP1.85
Rot. Bonds8

About 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide

2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 43402355) has the molecular formula C12H14F4N2O3 and a molecular weight of 310.25 g/mol. Its IUPAC name is 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
PubChem CID43402355
Molecular FormulaC12H14F4N2O3
Molecular Weight310.25 g/mol
Exact Mass310.09
IUPAC Name2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
SMILESCC(NCc1ccc(OC(F)F)cc1OC(F)F)C(N)=O
InChIInChI=1S/C12H14F4N2O3/c1-6(10(17)19)18-5-7-2-3-8(20-11(13)14)4-9(7)21-12(15)16/h2-4,6,11-12,18H,5H2,1H3,(H2,17,19)
InChIKeyITMDCAICVJLQFM-UHFFFAOYSA-N
XLogP1.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 43232569
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]but-3-yn-2-amine
CID 114414934
N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1-cyclopropylethanamine
CID 43400195
(2S)-2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]butan-1-ol
CID 104980379
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
CID 43503462
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 134045681
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
1-[[2,4-bis(difluoromethoxy)phenyl]methylamino]-2-methylpropan-2-ol
CID 63932490
1-[2,4-bis(difluoromethoxy)phenyl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724428
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
(2R)-2-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]propanamide;hydrochloride
CID 119338916

Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide (CID 43402355) is 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide is CC(NCc1ccc(OC(F)F)cc1OC(F)F)C(N)=O.
What is the InChIKey of 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is ITMDCAICVJLQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O3/c1-6(10(17)19)18-5-7-2-3-8(20-11(13)14)4-9(7)21-12(15)16/h2-4,6,11-12,18H,5H2,1H3,(H2,17,19).
What are the key properties of 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide?
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 310.25 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 43402355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).