3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide

C14H20FNO2 — CID 110418848

IUPAC3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
SMILESCC(C)OCCNC(=O)CCc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-11(2)18-9-8-16-14(17)7-6-12-4-3-5-13(15)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,17)
InChIKeyBGHAEHXIVOQYNS-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.30
Rot. Bonds7

About 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide

3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide (PubChem CID 110418848) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
PubChem CID110418848
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
SMILESCC(C)OCCNC(=O)CCc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-11(2)18-9-8-16-14(17)7-6-12-4-3-5-13(15)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,17)
InChIKeyBGHAEHXIVOQYNS-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
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N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
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3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
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3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide (CID 110418848) is 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide is CC(C)OCCNC(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide?
The InChIKey is BGHAEHXIVOQYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(2)18-9-8-16-14(17)7-6-12-4-3-5-13(15)10-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide?
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide has a molecular weight of 253.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide is sourced from PubChem (CID 110418848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).