4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide

C22H16F2N2O — CID 160532457

IUPAC4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide
SMILESC=Cc1nccc(Cc2c(F)cc(C(N)=O)c3c2-c2ccccc2C3)c1F
InChIInChI=1S/C22H16F2N2O/c1-2-19-21(24)13(7-8-26-19)10-17-18(23)11-16(22(25)27)15-9-12-5-3-4-6-14(12)20(15)17/h2-8,11H,1,9-10H2,(H2,25,27)
InChIKeyQVSMYWJFFBXZHC-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.26
Rot. Bonds4

About 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide

4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide (PubChem CID 160532457) has the molecular formula C22H16F2N2O and a molecular weight of 362.38 g/mol. Its IUPAC name is 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide
PubChem CID160532457
Molecular FormulaC22H16F2N2O
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide
SMILESC=Cc1nccc(Cc2c(F)cc(C(N)=O)c3c2-c2ccccc2C3)c1F
InChIInChI=1S/C22H16F2N2O/c1-2-19-21(24)13(7-8-26-19)10-17-18(23)11-16(22(25)27)15-9-12-5-3-4-6-14(12)20(15)17/h2-8,11H,1,9-10H2,(H2,25,27)
InChIKeyQVSMYWJFFBXZHC-UHFFFAOYSA-N
XLogP4.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide
CID 148905848
3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide
CID 147953968
4-(1-but-2-ynoyl-3,6-dihydro-2H-pyridin-4-yl)-3-fluoro-9H-fluorene-1-carboxamide
CID 160632073
9H-fluorene-1-carboxamide
CID 18474131
2-(9H-fluoren-4-yl)acetamide
CID 23620144
4-(1H-indol-2-yl)-9H-fluorene-1-carboxamide
CID 173111628
1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid
CID 139570537
2,4-difluoro-9H-fluorene
CID 19773988
5-ethenyl-3-ethyl-2-(9H-fluoren-1-yl)pyridine
CID 151429298
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
3,4-dibenzyl-2-fluorobenzamide
CID 69484098

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide?
The IUPAC name of 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide (CID 160532457) is 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide.
What is the SMILES notation for 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide?
The canonical SMILES for 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide is C=Cc1nccc(Cc2c(F)cc(C(N)=O)c3c2-c2ccccc2C3)c1F.
What is the InChIKey of 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide?
The InChIKey is QVSMYWJFFBXZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O/c1-2-19-21(24)13(7-8-26-19)10-17-18(23)11-16(22(25)27)15-9-12-5-3-4-6-14(12)20(15)17/h2-8,11H,1,9-10H2,(H2,25,27).
What are the key properties of 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide?
4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethenyl-3-fluoro-4-pyridinyl)methyl]-3-fluoro-9H-fluorene-1-carboxamide is sourced from PubChem (CID 160532457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).