2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide

C17H18F2N2O3 — CID 95624444

IUPAC2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1OCC(N)=O
InChIInChI=1S/C17H18F2N2O3/c1-10(11-3-5-13(18)14(19)7-11)21-12-4-6-15(23-2)16(8-12)24-9-17(20)22/h3-8,10,21H,9H2,1-2H3,(H2,20,22)/t10-/m1/s1
InChIKeyVWQYRGZIJVTAHP-SNVBAGLBSA-N
MW336.34 g/mol
LogP3.01
Rot. Bonds7

About 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide

2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide (PubChem CID 95624444) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
PubChem CID95624444
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
SMILESCOc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1OCC(N)=O
InChIInChI=1S/C17H18F2N2O3/c1-10(11-3-5-13(18)14(19)7-11)21-12-4-6-15(23-2)16(8-12)24-9-17(20)22/h3-8,10,21H,9H2,1-2H3,(H2,20,22)/t10-/m1/s1
InChIKeyVWQYRGZIJVTAHP-SNVBAGLBSA-N
XLogP3.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[5-[1-(2,6-difluorophenyl)ethylamino]-2-methoxyphenoxy]acetamide
CID 56805403
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 134013102
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
2-[5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624450
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]benzoic acid
CID 43139175
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 43695171
2-[3-(2-amino-2-oxoethoxy)-4-methoxyanilino]-N-(2,6-dimethylphenyl)propanamide
CID 47065312

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide (CID 95624444) is 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide is COc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1OCC(N)=O.
What is the InChIKey of 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide?
The InChIKey is VWQYRGZIJVTAHP-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10(11-3-5-13(18)14(19)7-11)21-12-4-6-15(23-2)16(8-12)24-9-17(20)22/h3-8,10,21H,9H2,1-2H3,(H2,20,22)/t10-/m1/s1.
What are the key properties of 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide?
2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide has a molecular weight of 336.34 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 95624444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).