2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide

C20H24FNO2 — CID 132760693

IUPAC2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C20H24FNO2/c1-5-18(24-16-11-9-15(21)10-12-16)20(23)22-19-14(4)7-6-8-17(19)13(2)3/h6-13,18H,5H2,1-4H3,(H,22,23)
InChIKeyLHHOLUIOBUZRLP-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.05
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide

2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide (PubChem CID 132760693) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
PubChem CID132760693
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C20H24FNO2/c1-5-18(24-16-11-9-15(21)10-12-16)20(23)22-19-14(4)7-6-8-17(19)13(2)3/h6-13,18H,5H2,1-4H3,(H,22,23)
InChIKeyLHHOLUIOBUZRLP-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 132761053
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233331
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
2-(4-fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7919869
2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 92674551
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 53266192

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide (CID 132760693) is 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The InChIKey is LHHOLUIOBUZRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-5-18(24-16-11-9-15(21)10-12-16)20(23)22-19-14(4)7-6-8-17(19)13(2)3/h6-13,18H,5H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide has a molecular weight of 329.42 g/mol, XLogP of 5.05, 6 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-methyl-6-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 132760693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).