N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide

C14H16FNO — CID 100580644

IUPACN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1
InChIInChI=1S/C14H16FNO/c15-12-3-1-2-11(8-12)14(17)16-13-7-9-4-5-10(13)6-9/h1-3,8-10,13H,4-7H2,(H,16,17)/t9-,10-,13-/m0/s1
InChIKeyZWRYVQGTGWLIQN-KWBADKCTSA-N
MW233.29 g/mol
LogP2.74
Rot. Bonds2

About N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide (PubChem CID 100580644) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
PubChem CID100580644
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1
InChIInChI=1S/C14H16FNO/c15-12-3-1-2-11(8-12)14(17)16-13-7-9-4-5-10(13)6-9/h1-3,8-10,13H,4-7H2,(H,16,17)/t9-,10-,13-/m0/s1
InChIKeyZWRYVQGTGWLIQN-KWBADKCTSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
CID 100619770
N-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylsulfamoyl)benzamide
CID 133231330
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
CID 125073112
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-(2-bicyclo[2.2.1]heptanyl)-2-fluoro-3-methylbenzamide
CID 80710467
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50944716
N-(2-bromocyclohexyl)-3-fluorobenzamide
CID 114311839

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide?
The IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide (CID 100580644) is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide?
The canonical SMILES for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide is O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(F)c1.
What is the InChIKey of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide?
The InChIKey is ZWRYVQGTGWLIQN-KWBADKCTSA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-3-1-2-11(8-12)14(17)16-13-7-9-4-5-10(13)6-9/h1-3,8-10,13H,4-7H2,(H,16,17)/t9-,10-,13-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide?
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide has a molecular weight of 233.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide is sourced from PubChem (CID 100580644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).