3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide

C11H14F2N2O2 — CID 65236190

IUPAC3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H14F2N2O2/c1-15-8(6-10(14)16)7-4-2-3-5-9(7)17-11(12)13/h2-5,8,11,15H,6H2,1H3,(H2,14,16)
InChIKeyKHMCZSMPDXXRKB-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.42
Rot. Bonds6

About 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide

3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide (PubChem CID 65236190) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide
PubChem CID65236190
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1ccccc1OC(F)F
InChIInChI=1S/C11H14F2N2O2/c1-15-8(6-10(14)16)7-4-2-3-5-9(7)17-11(12)13/h2-5,8,11,15H,6H2,1H3,(H2,14,16)
InChIKeyKHMCZSMPDXXRKB-UHFFFAOYSA-N
XLogP1.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N,4-dimethylpentan-1-amine
CID 115834429
3-acetamido-3-[2-(difluoromethoxy)phenyl]propanoic acid
CID 63651224
1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104992818
4-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 60863199
methyl 4-amino-3-[2-(difluoromethoxy)phenyl]butanoate
CID 66098301
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide
CID 171868513
tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 140747337
ethyl 2-(butan-2-ylamino)-2-[2-(difluoromethoxy)phenyl]acetate
CID 61023653
2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115847852
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
CID 95781613

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide (CID 65236190) is 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide is CNC(CC(N)=O)c1ccccc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide?
The InChIKey is KHMCZSMPDXXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-15-8(6-10(14)16)7-4-2-3-5-9(7)17-11(12)13/h2-5,8,11,15H,6H2,1H3,(H2,14,16).
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide?
3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide has a molecular weight of 244.24 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-3-(methylamino)propanamide is sourced from PubChem (CID 65236190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).