N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C16H16F3NO3 — CID 9120331

IUPACN-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H16F3NO3/c1-22-9-3-8-20-15(21)14-7-6-13(23-14)11-4-2-5-12(10-11)16(17,18)19/h2,4-7,10H,3,8-9H2,1H3,(H,20,21)
InChIKeyBSWRUEQRAQPMOG-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.73
Rot. Bonds6

About N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 9120331) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID9120331
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC NameN-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H16F3NO3/c1-22-9-3-8-20-15(21)14-7-6-13(23-14)11-4-2-5-12(10-11)16(17,18)19/h2,4-7,10H,3,8-9H2,1H3,(H,20,21)
InChIKeyBSWRUEQRAQPMOG-UHFFFAOYSA-N
XLogP3.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.73
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-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 48731441
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26713686
N-[2-(2-oxoazepan-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39513052
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24560469
N-(2-methoxyethyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 20859726
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 26847933

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 9120331) is N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is COCCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is BSWRUEQRAQPMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3/c1-22-9-3-8-20-15(21)14-7-6-13(23-14)11-4-2-5-12(10-11)16(17,18)19/h2,4-7,10H,3,8-9H2,1H3,(H,20,21).
What are the key properties of N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 327.30 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 9120331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).