4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

C17H22FNO — CID 892493

IUPAC4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H22FNO/c1-16(2)12-8-9-17(16,3)14(10-12)19-15(20)11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)/t12-,14+,17+/m1/s1
InChIKeyDWICXINJNFRVIU-IFIJOSMWSA-N
MW275.37 g/mol
LogP3.77
Rot. Bonds2

About 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 892493) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID892493
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H22FNO/c1-16(2)12-8-9-17(16,3)14(10-12)19-15(20)11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)/t12-,14+,17+/m1/s1
InChIKeyDWICXINJNFRVIU-IFIJOSMWSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (CID 892493) is 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is DWICXINJNFRVIU-IFIJOSMWSA-N. The full InChI is InChI=1S/C17H22FNO/c1-16(2)12-8-9-17(16,3)14(10-12)19-15(20)11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)/t12-,14+,17+/m1/s1.
What are the key properties of 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 275.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 892493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).