N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide

C14H22F2N2O — CID 124744024

IUPACN-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide
SMILESO=C(CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)NCC(F)F
InChIInChI=1S/C14H22F2N2O/c15-13(16)6-18-14(19)7-17-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-13,17H,1-7H2,(H,18,19)/t8-,9+,10-,11+,12-/m1/s1
InChIKeyZHPGHYBTGZPEIB-CSYMLDBXSA-N
MW272.34 g/mol
LogP1.78
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide

N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide (PubChem CID 124744024) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide
PubChem CID124744024
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide
SMILESO=C(CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)NCC(F)F
InChIInChI=1S/C14H22F2N2O/c15-13(16)6-18-14(19)7-17-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-13,17H,1-7H2,(H,18,19)/t8-,9+,10-,11+,12-/m1/s1
InChIKeyZHPGHYBTGZPEIB-CSYMLDBXSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-(octahydro-4,7-methano-1H-inden-5-yl)-, (3a-alpha,4-beta,5-alpha,7-beta,7a-alpha)-
CID 3056050
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 55232429
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60641135
2,2,2-trifluoro-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 62733373
N-(2,2,2-trifluoroethyl)-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]acetamide
CID 64464766
2-(2-bicyclo[2.2.1]heptanylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64465755
2-(2,2,2-trifluoroethylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 78914787
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914957
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958146
N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958316
2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 78997075
N-(2-bicyclo[2.2.1]heptanyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78997607

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide (CID 124744024) is N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide is O=C(CN[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide?
The InChIKey is ZHPGHYBTGZPEIB-CSYMLDBXSA-N. The full InChI is InChI=1S/C14H22F2N2O/c15-13(16)6-18-14(19)7-17-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-13,17H,1-7H2,(H,18,19)/t8-,9+,10-,11+,12-/m1/s1.
What are the key properties of N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide?
N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide has a molecular weight of 272.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]amino]acetamide is sourced from PubChem (CID 124744024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).