(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

C20H24FNO3 — CID 99132312

IUPAC(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C20H24FNO3/c1-4-18(25-19-11-6-5-10-17(19)21)20(23)22-13-15-8-7-9-16(12-15)24-14(2)3/h5-12,14,18H,4,13H2,1-3H3,(H,22,23)/t18-/m0/s1
InChIKeyQVGRUIBXLQDDIP-SFHVURJKSA-N
MW345.41 g/mol
LogP4.09
Rot. Bonds8

About (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide

(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 99132312) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID99132312
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C20H24FNO3/c1-4-18(25-19-11-6-5-10-17(19)21)20(23)22-13-15-8-7-9-16(12-15)24-14(2)3/h5-12,14,18H,4,13H2,1-3H3,(H,22,23)/t18-/m0/s1
InChIKeyQVGRUIBXLQDDIP-SFHVURJKSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99133296
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenoxy)butanamide
CID 7443270
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2R)-2-(2,3-dimethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 28574055
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide (CID 99132312) is (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(OC(C)C)c1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is QVGRUIBXLQDDIP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-18(25-19-11-6-5-10-17(19)21)20(23)22-13-15-8-7-9-16(12-15)24-14(2)3/h5-12,14,18H,4,13H2,1-3H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide?
(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 345.41 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 99132312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).