2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide

C17H23FN2O — CID 43179815

IUPAC2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCC(NCC(=O)Nc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C17H23FN2O/c1-11(14-9-12-6-7-13(14)8-12)19-10-17(21)20-16-5-3-2-4-15(16)18/h2-5,11-14,19H,6-10H2,1H3,(H,20,21)
InChIKeySUSXSLZRSMZMPK-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.18
Rot. Bonds5

About 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide (PubChem CID 43179815) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide
PubChem CID43179815
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCC(NCC(=O)Nc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C17H23FN2O/c1-11(14-9-12-6-7-13(14)8-12)19-10-17(21)20-16-5-3-2-4-15(16)18/h2-5,11-14,19H,6-10H2,1H3,(H,20,21)
InChIKeySUSXSLZRSMZMPK-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(4-chloro-2-methylphenyl)acetamide
CID 4852472
N-(2-benzoyl-4-chlorophenyl)-2-[[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]acetamide
CID 2355286
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-bromophenyl)acetamide
CID 43082122
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-[4-(diethylamino)phenyl]acetamide
CID 4839986
2-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 98606003
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-fluorobenzoic acid
CID 79522510
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 4287753
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-fluorobenzenecarbothioamide
CID 79513138
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-cyclohexylacetamide
CID 43179826
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-naphthalen-1-ylurea
CID 18285320

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide (CID 43179815) is 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide is CC(NCC(=O)Nc1ccccc1F)C1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide?
The InChIKey is SUSXSLZRSMZMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11(14-9-12-6-7-13(14)8-12)19-10-17(21)20-16-5-3-2-4-15(16)18/h2-5,11-14,19H,6-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide?
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide has a molecular weight of 290.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 43179815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).