1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide

C19H22FNO3 — CID 86921329

IUPAC1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H22FNO3/c20-16-7-5-15(6-8-16)19(9-2-10-19)18(22)21-11-3-12-23-14-17-4-1-13-24-17/h1,4-8,13H,2-3,9-12,14H2,(H,21,22)
InChIKeyYQDQLVSOMSIKBI-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.56
Rot. Bonds8

About 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide (PubChem CID 86921329) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide
PubChem CID86921329
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C19H22FNO3/c20-16-7-5-15(6-8-16)19(9-2-10-19)18(22)21-11-3-12-23-14-17-4-1-13-24-17/h1,4-8,13H,2-3,9-12,14H2,(H,21,22)
InChIKeyYQDQLVSOMSIKBI-UHFFFAOYSA-N
XLogP3.56
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.56
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

1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide
CID 113312924
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
N-[3-(furan-2-ylmethoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 61364298
1-[2-(4-fluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111229849
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 86996640
1-[2-(4-fluorophenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111229848
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 20971628
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-1,2-dimethylguanidine;hydroiodide
CID 111307325
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 2214985
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide (CID 86921329) is 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide is O=C(NCCCOCc1ccco1)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide?
The InChIKey is YQDQLVSOMSIKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c20-16-7-5-15(6-8-16)19(9-2-10-19)18(22)21-11-3-12-23-14-17-4-1-13-24-17/h1,4-8,13H,2-3,9-12,14H2,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 86921329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).