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

C11H14F2N2O2 — CID 62638211

IUPACN-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C11H14F2N2O2/c1-7(14-2)10(16)15-8-4-3-5-9(6-8)17-11(12)13/h3-7,11,14H,1-2H3,(H,15,16)
InChIKeyLRMPXZXLSCJAEJ-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.83
Rot. Bonds5

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

N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide (PubChem CID 62638211) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
PubChem CID62638211
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C11H14F2N2O2/c1-7(14-2)10(16)15-8-4-3-5-9(6-8)17-11(12)13/h3-7,11,14H,1-2H3,(H,15,16)
InChIKeyLRMPXZXLSCJAEJ-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
3-amino-N-[3-(difluoromethoxy)phenyl]-2-methoxypropanamide
CID 114144924
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
N-[3-(difluoromethoxy)phenyl]-2-phenyl-2-pyrrol-1-ylacetamide
CID 56764445
N-[1-[3-(difluoromethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55742227

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide (CID 62638211) is N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide?
The InChIKey is LRMPXZXLSCJAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-7(14-2)10(16)15-8-4-3-5-9(6-8)17-11(12)13/h3-7,11,14H,1-2H3,(H,15,16).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide?
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide has a molecular weight of 244.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide is sourced from PubChem (CID 62638211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).