N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide

C18H20F2N2O2 — CID 24506649

IUPACN-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N(C)CCOc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-13(18(23)21-14-8-9-16(19)17(20)12-14)22(2)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyBOIJIOWWDPYQIW-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.30
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide

N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide (PubChem CID 24506649) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
PubChem CID24506649
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)N(C)CCOc1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-13(18(23)21-14-8-9-16(19)17(20)12-14)22(2)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyBOIJIOWWDPYQIW-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8797312
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
N-(3-acetamidophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 86919247
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444904
N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488702
(2R)-2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(3-methylphenyl)propanamide
CID 125167326

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide (CID 24506649) is N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide is CC(C(=O)Nc1ccc(F)c(F)c1)N(C)CCOc1ccccc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
The InChIKey is BOIJIOWWDPYQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-13(18(23)21-14-8-9-16(19)17(20)12-14)22(2)10-11-24-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide?
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide has a molecular weight of 334.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide is sourced from PubChem (CID 24506649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).