(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide

C19H22FNO4 — CID 99817873

IUPAC(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22FNO4/c1-4-15(25-16-8-6-5-7-14(16)20)19(22)21-12-13-9-10-17(23-2)18(11-13)24-3/h5-11,15H,4,12H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyBQKRCFGJUMDHJB-OAHLLOKOSA-N
MW347.39 g/mol
LogP3.32
Rot. Bonds8

About (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide

(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide (PubChem CID 99817873) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
PubChem CID99817873
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22FNO4/c1-4-15(25-16-8-6-5-7-14(16)20)19(22)21-12-13-9-10-17(23-2)18(11-13)24-3/h5-11,15H,4,12H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyBQKRCFGJUMDHJB-OAHLLOKOSA-N
XLogP3.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132312
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94019866
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenoxy)butanamide
CID 7443270
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 43908219
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide (CID 99817873) is (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide is CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is BQKRCFGJUMDHJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-4-15(25-16-8-6-5-7-14(16)20)19(22)21-12-13-9-10-17(23-2)18(11-13)24-3/h5-11,15H,4,12H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide?
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide has a molecular weight of 347.39 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 99817873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).