2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide

C15H16FNO2 — CID 18162462

IUPAC2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccccc1F
InChIInChI=1S/C15H16FNO2/c1-11(8-9-12-5-4-10-19-12)17-15(18)13-6-2-3-7-14(13)16/h2-7,10-11H,8-9H2,1H3,(H,17,18)
InChIKeyLSSLIZFALUWEKF-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.17
Rot. Bonds5

About 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide

2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 18162462) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID18162462
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccccc1F
InChIInChI=1S/C15H16FNO2/c1-11(8-9-12-5-4-10-19-12)17-15(18)13-6-2-3-7-14(13)16/h2-7,10-11H,8-9H2,1H3,(H,17,18)
InChIKeyLSSLIZFALUWEKF-UHFFFAOYSA-N
XLogP3.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide (CID 18162462) is 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide is CC(CCc1ccco1)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is LSSLIZFALUWEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-11(8-9-12-5-4-10-19-12)17-15(18)13-6-2-3-7-14(13)16/h2-7,10-11H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide?
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 261.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 18162462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).