3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C14H18F3NO3 — CID 103726275

IUPAC3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC1CC1c1ccc(CCC(=O)NCC(O)C(F)(F)F)o1
InChIInChI=1S/C14H18F3NO3/c1-8-6-10(8)11-4-2-9(21-11)3-5-13(20)18-7-12(19)14(15,16)17/h2,4,8,10,12,19H,3,5-7H2,1H3,(H,18,20)
InChIKeyJXWQMLOVWCGANK-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.38
Rot. Bonds6

About 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103726275) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103726275
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC1CC1c1ccc(CCC(=O)NCC(O)C(F)(F)F)o1
InChIInChI=1S/C14H18F3NO3/c1-8-6-10(8)11-4-2-9(21-11)3-5-13(20)18-7-12(19)14(15,16)17/h2,4,8,10,12,19H,3,5-7H2,1H3,(H,18,20)
InChIKeyJXWQMLOVWCGANK-UHFFFAOYSA-N
XLogP2.38
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide
CID 94480432
3-[5-(4-Fluorophenyl)furan-2-YL]-N-[(oxolan-2-YL)methyl]propanamide
CID 22587443
N-(dicyclopropylmethyl)-3-(furan-2-yl)propanamide
CID 47020128
2-(furan-2-yl)-N-[2-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 71936590
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(furan-2-yl)propanamide
CID 71982887
1-(2-Furyl)-3-acetamido-4,4-dimethylpentane
CID 129788248
1-(a-Furyl)-2-ethyl-3-acetamidopropane
CID 129804425
1-(a-Furyl)-2-methyl-3-acetamidopropane
CID 129804455
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylpropyl)propanamide
CID 18106044
3-[5-(2-fluorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 18160306
3-[5-(2-fluorophenyl)furan-2-yl]-N-(1-methoxypropan-2-yl)propanamide
CID 18161141

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103726275) is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC1CC1c1ccc(CCC(=O)NCC(O)C(F)(F)F)o1.
What is the InChIKey of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is JXWQMLOVWCGANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-8-6-10(8)11-4-2-9(21-11)3-5-13(20)18-7-12(19)14(15,16)17/h2,4,8,10,12,19H,3,5-7H2,1H3,(H,18,20).
What are the key properties of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 305.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103726275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).