4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide

C16H18FNO3 — CID 63213455

IUPAC4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCOCc2ccco2)ccc1F
InChIInChI=1S/C16H18FNO3/c1-12-10-13(5-6-15(12)17)16(19)18-7-3-8-20-11-14-4-2-9-21-14/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,18,19)
InChIKeyPYVYYPACKNJACA-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.06
Rot. Bonds7

About 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide

4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide (PubChem CID 63213455) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
PubChem CID63213455
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCOCc2ccco2)ccc1F
InChIInChI=1S/C16H18FNO3/c1-12-10-13(5-6-15(12)17)16(19)18-7-3-8-20-11-14-4-2-9-21-14/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,18,19)
InChIKeyPYVYYPACKNJACA-UHFFFAOYSA-N
XLogP3.06
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 55471609
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-[2-[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111398405
N-[3-(furan-2-ylmethoxy)propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55853611
N-[2-(2-aminophenoxy)ethyl]-4-fluoro-3-methylbenzamide
CID 63209631
6-fluoro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-2-carboxamide
CID 115497634
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
methyl 6-[3-(furan-2-ylmethoxy)propylcarbamoyl]pyridine-3-carboxylate
CID 86921232

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide (CID 63213455) is 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide is Cc1cc(C(=O)NCCCOCc2ccco2)ccc1F.
What is the InChIKey of 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide?
The InChIKey is PYVYYPACKNJACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-12-10-13(5-6-15(12)17)16(19)18-7-3-8-20-11-14-4-2-9-21-14/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide?
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide has a molecular weight of 291.32 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide is sourced from PubChem (CID 63213455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).