(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide

C19H20FNO3 — CID 28634034

IUPAC(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
SMILESC=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO3/c1-3-12-23-17-7-5-6-15(13-17)21-19(22)18(4-2)24-16-10-8-14(20)9-11-16/h3,5-11,13,18H,1,4,12H2,2H3,(H,21,22)/t18-/m0/s1
InChIKeyCKAOSTAWRWFOKE-SFHVURJKSA-N
MW329.37 g/mol
LogP4.19
Rot. Bonds8

About (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide

(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide (PubChem CID 28634034) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
PubChem CID28634034
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
SMILESC=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO3/c1-3-12-23-17-7-5-6-15(13-17)21-19(22)18(4-2)24-16-10-8-14(20)9-11-16/h3,5-11,13,18H,1,4,12H2,2H3,(H,21,22)/t18-/m0/s1
InChIKeyCKAOSTAWRWFOKE-SFHVURJKSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
CID 92679949
(2S)-2-(2,5-dimethylphenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 99949902
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
2-(4-phenylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17096805
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
(2R)-2-(4-fluorophenoxy)-N-pyridin-3-ylbutanamide
CID 99131304
(2R)-2-(4-chlorophenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 26239058
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide (CID 28634034) is (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide is C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)c1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide?
The InChIKey is CKAOSTAWRWFOKE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-12-23-17-7-5-6-15(13-17)21-19(22)18(4-2)24-16-10-8-14(20)9-11-16/h3,5-11,13,18H,1,4,12H2,2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide?
(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide has a molecular weight of 329.37 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide is sourced from PubChem (CID 28634034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).