3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide

C14H17BrFNO2 — CID 47083414

IUPAC3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(Br)cc1F)NCC1CCCO1
InChIInChI=1S/C14H17BrFNO2/c15-11-5-3-10(13(16)8-11)4-6-14(18)17-9-12-2-1-7-19-12/h3,5,8,12H,1-2,4,6-7,9H2,(H,17,18)
InChIKeyRAHKVFZFRYKEFN-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.82
Rot. Bonds5

About 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide

3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 47083414) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID47083414
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(Br)cc1F)NCC1CCCO1
InChIInChI=1S/C14H17BrFNO2/c15-11-5-3-10(13(16)8-11)4-6-14(18)17-9-12-2-1-7-19-12/h3,5,8,12H,1-2,4,6-7,9H2,(H,17,18)
InChIKeyRAHKVFZFRYKEFN-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide (CID 47083414) is 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCc1ccc(Br)cc1F)NCC1CCCO1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is RAHKVFZFRYKEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-11-5-3-10(13(16)8-11)4-6-14(18)17-9-12-2-1-7-19-12/h3,5,8,12H,1-2,4,6-7,9H2,(H,17,18).
What are the key properties of 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide?
3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 330.20 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 47083414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).