2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide

C18H20F2N2O2 — CID 120830171

IUPAC2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
SMILESCNC(C)CNC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-12(21-2)11-22-18(23)17(13-6-4-3-5-7-13)24-14-8-9-15(19)16(20)10-14/h3-10,12,17,21H,11H2,1-2H3,(H,22,23)
InChIKeyFFAJCMYYLPNYFB-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.81
Rot. Bonds7

About 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide

2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide (PubChem CID 120830171) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
PubChem CID120830171
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
SMILESCNC(C)CNC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-12(21-2)11-22-18(23)17(13-6-4-3-5-7-13)24-14-8-9-15(19)16(20)10-14/h3-10,12,17,21H,11H2,1-2H3,(H,22,23)
InChIKeyFFAJCMYYLPNYFB-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830330
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366
N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide
CID 86897436
N-[2-(methylamino)propyl]-2,2-diphenylacetamide
CID 120829016
2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide
CID 86950916
2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511547
N-[2-(methylamino)ethyl]-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119500862
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
cis-(1R,3S)-3-[[2-(3,4-difluorophenoxy)-2-phenylacetyl]amino]cyclopentane-1-carboxylic acid
CID 120678568
2-fluoro-N-[2-[(2-phenoxy-2-phenylacetyl)amino]ethyl]benzamide
CID 55982811
2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119544183
N-(3-amino-2-methylpropyl)-2-(4-bromophenoxy)-2-phenylacetamide;hydrochloride
CID 119997803

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide (CID 120830171) is 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide is CNC(C)CNC(=O)C(Oc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide?
The InChIKey is FFAJCMYYLPNYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12(21-2)11-22-18(23)17(13-6-4-3-5-7-13)24-14-8-9-15(19)16(20)10-14/h3-10,12,17,21H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide?
2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide has a molecular weight of 334.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide is sourced from PubChem (CID 120830171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).