N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide

C18H20FNO4 — CID 44782476

IUPACN-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20FNO4/c1-4-14(24-15-8-6-5-7-13(15)19)18(21)20-12-9-10-16(22-2)17(11-12)23-3/h5-11,14H,4H2,1-3H3,(H,20,21)
InChIKeyVFISPXZCTSBWRQ-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.64
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide

N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide (PubChem CID 44782476) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
PubChem CID44782476
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H20FNO4/c1-4-14(24-15-8-6-5-7-13(15)19)18(21)20-12-9-10-16(22-2)17(11-12)23-3/h5-11,14H,4H2,1-3H3,(H,20,21)
InChIKeyVFISPXZCTSBWRQ-UHFFFAOYSA-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

(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9181885
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide (CID 44782476) is N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide is CCC(Oc1ccccc1F)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide?
The InChIKey is VFISPXZCTSBWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-4-14(24-15-8-6-5-7-13(15)19)18(21)20-12-9-10-16(22-2)17(11-12)23-3/h5-11,14H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide?
N-(3,4-dimethoxyphenyl)-2-(2-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 N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 44782476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).