2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide

C21H26FNO2 — CID 46771830

IUPAC2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26FNO2/c1-4-20(25-19-11-9-18(22)10-12-19)21(24)23-14-13-16-5-7-17(8-6-16)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,24)
InChIKeyXGWKAMAXTXNXEL-UHFFFAOYSA-N
MW343.44 g/mol
LogP4.47
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide

2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide (PubChem CID 46771830) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
PubChem CID46771830
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC Name2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C21H26FNO2/c1-4-20(25-19-11-9-18(22)10-12-19)21(24)23-14-13-16-5-7-17(8-6-16)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,24)
InChIKeyXGWKAMAXTXNXEL-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 133211109
(2S)-2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 99817878
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108538670
(2R)-2-naphthalen-1-yloxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94027047
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide (CID 46771830) is 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide is CCC(Oc1ccc(F)cc1)C(=O)NCCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
The InChIKey is XGWKAMAXTXNXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-4-20(25-19-11-9-18(22)10-12-19)21(24)23-14-13-16-5-7-17(8-6-16)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide?
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide has a molecular weight of 343.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 46771830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).