5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide

C22H18FNO3 — CID 47083758

IUPAC5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide
SMILESC#CCOc1ccc(CCNC(=O)c2ccc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C22H18FNO3/c1-2-15-26-17-9-7-16(8-10-17)13-14-24-22(25)21-12-11-20(27-21)18-5-3-4-6-19(18)23/h1,3-12H,13-15H2,(H,24,25)
InChIKeyXPIRFIAJJAXBDF-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.07
Rot. Bonds7

About 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide

5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 47083758) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID47083758
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide
SMILESC#CCOc1ccc(CCNC(=O)c2ccc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C22H18FNO3/c1-2-15-26-17-9-7-16(8-10-17)13-14-24-22(25)21-12-11-20(27-21)18-5-3-4-6-19(18)23/h1,3-12H,13-15H2,(H,24,25)
InChIKeyXPIRFIAJJAXBDF-UHFFFAOYSA-N
XLogP4.07
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
5-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 51180762
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51109880
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
2-(2,2-dimethylpropanoylamino)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]benzamide
CID 86945247
4-[2-(2-fluorophenyl)acetyl]-N-[2-(4-prop-2-ynoxyphenyl)ethyl]piperazine-1-carboxamide
CID 86875433
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 134041285
5-(2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]furan-2-carboxamide
CID 111333061
5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 70709024
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 25390328

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide (CID 47083758) is 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide is C#CCOc1ccc(CCNC(=O)c2ccc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is XPIRFIAJJAXBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-2-15-26-17-9-7-16(8-10-17)13-14-24-22(25)21-12-11-20(27-21)18-5-3-4-6-19(18)23/h1,3-12H,13-15H2,(H,24,25).
What are the key properties of 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide?
5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 47083758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).