(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide

C18H20FNO4 — CID 99956520

IUPAC(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C18H20FNO4/c1-4-16(24-13-7-5-12(19)6-8-13)18(21)20-15-10-9-14(22-2)11-17(15)23-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyVSNRWPPORVHDTJ-MRXNPFEDSA-N
MW333.36 g/mol
LogP3.64
Rot. Bonds7

About (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide

(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide (PubChem CID 99956520) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
PubChem CID99956520
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC Name(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C18H20FNO4/c1-4-16(24-13-7-5-12(19)6-8-13)18(21)20-15-10-9-14(22-2)11-17(15)23-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1
InChIKeyVSNRWPPORVHDTJ-MRXNPFEDSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 94019296
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
CID 48846730
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 93486662
2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 43877200

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide (CID 99956520) is (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide is CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is VSNRWPPORVHDTJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-4-16(24-13-7-5-12(19)6-8-13)18(21)20-15-10-9-14(22-2)11-17(15)23-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide?
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide has a molecular weight of 333.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 99956520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).