2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide

C13H18F2N2O2 — CID 54918576

IUPAC2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(C(N)=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-8(2)17-13(3,11(16)18)9-6-4-5-7-10(9)19-12(14)15/h4-8,12,17H,1-3H3,(H2,16,18)
InChIKeyBKVVSLCDVHYVEE-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.99
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide

2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide (PubChem CID 54918576) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide
PubChem CID54918576
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(C(N)=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H18F2N2O2/c1-8(2)17-13(3,11(16)18)9-6-4-5-7-10(9)19-12(14)15/h4-8,12,17H,1-3H3,(H2,16,18)
InChIKeyBKVVSLCDVHYVEE-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-(propan-2-ylamino)propanamide
CID 60788357
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid
CID 43803066
2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid
CID 43803407
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-(2-fluoroanilino)-2-(2-methoxyphenyl)propanamide
CID 60992388
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 61045823
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
methyl (3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropanoate
CID 171243498
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide (CID 54918576) is 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(C(N)=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide?
The InChIKey is BKVVSLCDVHYVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(2)17-13(3,11(16)18)9-6-4-5-7-10(9)19-12(14)15/h4-8,12,17H,1-3H3,(H2,16,18).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide?
2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide has a molecular weight of 272.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54918576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).