N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C15H16FNO2 — CID 141292924

IUPACN-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(F)[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C15H16FNO2/c1-15(2,16)13(7-18)17-14(19)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6,13,18H,5,7H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyNZUUGKGZSXLYGB-CYBMUJFWSA-N
MW261.30 g/mol
LogP1.72
Rot. Bonds4

About N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292924) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292924
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(F)[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C15H16FNO2/c1-15(2,16)13(7-18)17-14(19)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6,13,18H,5,7H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyNZUUGKGZSXLYGB-CYBMUJFWSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292924) is N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(F)[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is NZUUGKGZSXLYGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-15(2,16)13(7-18)17-14(19)10-4-3-9-11-5-8(11)6-12(9)10/h3-4,6,13,18H,5,7H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-fluoro-1-hydroxy-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).