3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide

C23H21FN2O2 — CID 148905848

IUPAC3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide
SMILESC=CC(=O)N1C[C@H]2C[C@@H]1CC2c1c(F)cc(C(N)=O)c2c1-c1ccccc1C2
InChIInChI=1S/C23H21FN2O2/c1-2-20(27)26-11-13-7-14(26)9-16(13)22-19(24)10-18(23(25)28)17-8-12-5-3-4-6-15(12)21(17)22/h2-6,10,13-14,16H,1,7-9,11H2,(H2,25,28)/t13-,14-,16?/m1/s1
InChIKeyPHQXRENORHBWKM-UIDSBSESSA-N
MW376.43 g/mol
LogP3.39
Rot. Bonds3

About 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide

3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide (PubChem CID 148905848) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide
PubChem CID148905848
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide
SMILESC=CC(=O)N1C[C@H]2C[C@@H]1CC2c1c(F)cc(C(N)=O)c2c1-c1ccccc1C2
InChIInChI=1S/C23H21FN2O2/c1-2-20(27)26-11-13-7-14(26)9-16(13)22-19(24)10-18(23(25)28)17-8-12-5-3-4-6-15(12)21(17)22/h2-6,10,13-14,16H,1,7-9,11H2,(H2,25,28)/t13-,14-,16?/m1/s1
InChIKeyPHQXRENORHBWKM-UIDSBSESSA-N
XLogP3.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide?
The IUPAC name of 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide (CID 148905848) is 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide.
What is the SMILES notation for 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide?
The canonical SMILES for 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide is C=CC(=O)N1C[C@H]2C[C@@H]1CC2c1c(F)cc(C(N)=O)c2c1-c1ccccc1C2.
What is the InChIKey of 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide?
The InChIKey is PHQXRENORHBWKM-UIDSBSESSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-2-20(27)26-11-13-7-14(26)9-16(13)22-19(24)10-18(23(25)28)17-8-12-5-3-4-6-15(12)21(17)22/h2-6,10,13-14,16H,1,7-9,11H2,(H2,25,28)/t13-,14-,16?/m1/s1.
What are the key properties of 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide?
3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1S,4S)-2-prop-2-enoyl-2-azabicyclo[2.2.1]heptan-5-yl]-9H-fluorene-1-carboxamide is sourced from PubChem (CID 148905848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).