4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide

C21H22FNO3 — CID 86874580

IUPAC4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
SMILESC#CCOc1ccc(CCNC(=O)CCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FNO3/c1-2-15-25-19-9-5-17(6-10-19)13-14-23-21(24)4-3-16-26-20-11-7-18(22)8-12-20/h1,5-12H,3-4,13-16H2,(H,23,24)
InChIKeyLUUAALXEEUKJNS-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.36
Rot. Bonds10

About 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide

4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide (PubChem CID 86874580) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
PubChem CID86874580
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
SMILESC#CCOc1ccc(CCNC(=O)CCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FNO3/c1-2-15-25-19-9-5-17(6-10-19)13-14-23-21(24)4-3-16-26-20-11-7-18(22)8-12-20/h1,5-12H,3-4,13-16H2,(H,23,24)
InChIKeyLUUAALXEEUKJNS-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
1-[(4-fluorophenyl)methyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]-1-prop-2-ynylurea
CID 86875434
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993396
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide (CID 86874580) is 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide is C#CCOc1ccc(CCNC(=O)CCCOc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide?
The InChIKey is LUUAALXEEUKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-2-15-25-19-9-5-17(6-10-19)13-14-23-21(24)4-3-16-26-20-11-7-18(22)8-12-20/h1,5-12H,3-4,13-16H2,(H,23,24).
What are the key properties of 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide?
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide has a molecular weight of 355.41 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 86874580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).