2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide

C16H20FNO — CID 18556191

IUPAC2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO/c17-15-5-2-11(3-6-15)10-18-16(19)9-14-8-12-1-4-13(14)7-12/h2-3,5-6,12-14H,1,4,7-10H2,(H,18,19)/t12-,13-,14+/m1/s1
InChIKeyOEGYOPGVJAGHOM-MCIONIFRSA-N
MW261.34 g/mol
LogP3.27
Rot. Bonds4

About 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide

2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 18556191) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID18556191
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCc1ccc(F)cc1
InChIInChI=1S/C16H20FNO/c17-15-5-2-11(3-6-15)10-18-16(19)9-14-8-12-1-4-13(14)7-12/h2-3,5-6,12-14H,1,4,7-10H2,(H,18,19)/t12-,13-,14+/m1/s1
InChIKeyOEGYOPGVJAGHOM-MCIONIFRSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 11935009
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544787
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 21174603
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63358971
5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81091312
4-[[[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-N-[(2S)-butan-2-yl]benzamide
CID 98365689
4-[[[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]methyl]-N-[(2S)-butan-2-yl]benzamide
CID 129377106

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide (CID 18556191) is 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is OEGYOPGVJAGHOM-MCIONIFRSA-N. The full InChI is InChI=1S/C16H20FNO/c17-15-5-2-11(3-6-15)10-18-16(19)9-14-8-12-1-4-13(14)7-12/h2-3,5-6,12-14H,1,4,7-10H2,(H,18,19)/t12-,13-,14+/m1/s1.
What are the key properties of 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 261.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 18556191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).