(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide

C17H18FNO4 — CID 31901152

IUPAC(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
SMILESCOc1cc(NC(=O)[C@@H](C)Oc2ccccc2F)cc(OC)c1
InChIInChI=1S/C17H18FNO4/c1-11(23-16-7-5-4-6-15(16)18)17(20)19-12-8-13(21-2)10-14(9-12)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyARHBFOPWCKEKSW-LLVKDONJSA-N
MW319.33 g/mol
LogP3.25
Rot. Bonds6

About (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide

(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide (PubChem CID 31901152) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
PubChem CID31901152
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
SMILESCOc1cc(NC(=O)[C@@H](C)Oc2ccccc2F)cc(OC)c1
InChIInChI=1S/C17H18FNO4/c1-11(23-16-7-5-4-6-15(16)18)17(20)19-12-8-13(21-2)10-14(9-12)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyARHBFOPWCKEKSW-LLVKDONJSA-N
XLogP3.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7815253
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31966341
(2S)-N-(3-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815212
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
N-(2-amino-4-fluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 16789198
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide (CID 31901152) is (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide is COc1cc(NC(=O)[C@@H](C)Oc2ccccc2F)cc(OC)c1.
What is the InChIKey of (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide?
The InChIKey is ARHBFOPWCKEKSW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-11(23-16-7-5-4-6-15(16)18)17(20)19-12-8-13(21-2)10-14(9-12)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide?
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide has a molecular weight of 319.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 31901152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).