N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide

C16H15F3N2O — CID 166431007

IUPACN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide
SMILESC=C(F)C(=O)N(C)C1CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C16H15F3N2O/c1-8(17)16(22)21(2)10-3-4-14-11(7-10)12-5-9(18)6-13(19)15(12)20-14/h5-6,10,20H,1,3-4,7H2,2H3
InChIKeyIUIIRBTWDIKLKU-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.24
Rot. Bonds2

About N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide

N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide (PubChem CID 166431007) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide
PubChem CID166431007
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC NameN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide
SMILESC=C(F)C(=O)N(C)C1CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C16H15F3N2O/c1-8(17)16(22)21(2)10-3-4-14-11(7-10)12-5-9(18)6-13(19)15(12)20-14/h5-6,10,20H,1,3-4,7H2,2H3
InChIKeyIUIIRBTWDIKLKU-UHFFFAOYSA-N
XLogP3.24
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide?
The IUPAC name of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide (CID 166431007) is N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide.
What is the SMILES notation for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide?
The canonical SMILES for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide is C=C(F)C(=O)N(C)C1CCc2[nH]c3c(F)cc(F)cc3c2C1.
What is the InChIKey of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide?
The InChIKey is IUIIRBTWDIKLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-8(17)16(22)21(2)10-3-4-14-11(7-10)12-5-9(18)6-13(19)15(12)20-14/h5-6,10,20H,1,3-4,7H2,2H3.
What are the key properties of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide?
N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide has a molecular weight of 308.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide is sourced from PubChem (CID 166431007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).