5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid

C16H16FNO3 — CID 42750343

IUPAC5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN(Cc2ccccc2F)C2CC2)o1
InChIInChI=1S/C16H16FNO3/c17-14-4-2-1-3-11(14)9-18(12-5-6-12)10-13-7-8-15(21-13)16(19)20/h1-4,7-8,12H,5-6,9-10H2,(H,19,20)
InChIKeyXQPIDQVFIJFWRZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.28
Rot. Bonds6

About 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid

5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 42750343) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
PubChem CID42750343
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN(Cc2ccccc2F)C2CC2)o1
InChIInChI=1S/C16H16FNO3/c17-14-4-2-1-3-11(14)9-18(12-5-6-12)10-13-7-8-15(21-13)16(19)20/h1-4,7-8,12H,5-6,9-10H2,(H,19,20)
InChIKeyXQPIDQVFIJFWRZ-UHFFFAOYSA-N
XLogP3.28
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-fluorophenyl)methoxymethyl]furan-2-carboxylic acid
CID 63933619
5-[[2-cyanoethyl(cyclopropyl)amino]methyl]furan-2-carboxylic acid
CID 54997252
5-[5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017554
5-[[methyl-(4-methylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 61437134
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167909565
(4-benzylpiperidin-1-yl)-[5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-yl]methanone
CID 5126896
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 27106218
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
CID 110932461
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 26010059
3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120980502

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid (CID 42750343) is 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN(Cc2ccccc2F)C2CC2)o1.
What is the InChIKey of 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is XQPIDQVFIJFWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-14-4-2-1-3-11(14)9-18(12-5-6-12)10-13-7-8-15(21-13)16(19)20/h1-4,7-8,12H,5-6,9-10H2,(H,19,20).
What are the key properties of 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid?
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 42750343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).