1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one

C17H18FNO2 — CID 62028966

IUPAC1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C17H18FNO2/c18-14-5-3-13(4-6-14)10-16(20)11-19(15-7-8-15)12-17-2-1-9-21-17/h1-6,9,15H,7-8,10-12H2
InChIKeyMCRFHWWHJSAQSY-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.19
Rot. Bonds7

About 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one

1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one (PubChem CID 62028966) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
PubChem CID62028966
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1)CN(Cc1ccco1)C1CC1
InChIInChI=1S/C17H18FNO2/c18-14-5-3-13(4-6-14)10-16(20)11-19(15-7-8-15)12-17-2-1-9-21-17/h1-6,9,15H,7-8,10-12H2
InChIKeyMCRFHWWHJSAQSY-UHFFFAOYSA-N
XLogP3.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
CID 121131349
4-[[4-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 23821498
N-benzyl-2-[cyclopropyl(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 34218809
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 34218990
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-thiophen-2-ylethanone
CID 62029916
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 25479249
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 3254720
N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 115299012
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 62031445

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one (CID 62028966) is 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one is O=C(Cc1ccc(F)cc1)CN(Cc1ccco1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one?
The InChIKey is MCRFHWWHJSAQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-14-5-3-13(4-6-14)10-16(20)11-19(15-7-8-15)12-17-2-1-9-21-17/h1-6,9,15H,7-8,10-12H2.
What are the key properties of 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one?
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one has a molecular weight of 287.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 62028966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).