N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide

C21H26F2N2O2 — CID 155499115

IUPACN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide
SMILESO=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1cccc(F)c1F
InChIInChI=1S/C21H26F2N2O2/c22-17-7-3-6-14(19(17)23)20(26)24-10-15-16-11-25(13-4-1-2-5-13)12-21(16)9-8-18(15)27-21/h3,6-7,13,15-16,18H,1-2,4-5,8-12H2,(H,24,26)/t15-,16+,18+,21+/m0/s1
InChIKeyMFSKOJNDZJVNMA-LTVCHDBBSA-N
MW376.45 g/mol
LogP3.12
Rot. Bonds4

About N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide (PubChem CID 155499115) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide
PubChem CID155499115
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC NameN-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide
SMILESO=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1cccc(F)c1F
InChIInChI=1S/C21H26F2N2O2/c22-17-7-3-6-14(19(17)23)20(26)24-10-15-16-11-25(13-4-1-2-5-13)12-21(16)9-8-18(15)27-21/h3,6-7,13,15-16,18H,1-2,4-5,8-12H2,(H,24,26)/t15-,16+,18+,21+/m0/s1
InChIKeyMFSKOJNDZJVNMA-LTVCHDBBSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide with MolForge

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Related Compounds

2-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155504936
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide
CID 155509949
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-(3-fluorophenyl)propanamide
CID 155503849
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155505641
N-[[(1S,5S,6R,7R)-3-cyclohexyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 155498761
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methylthiophene-2-carboxamide
CID 155506452
N-[[(1S,5S,6R,7R)-3-(2-ethoxyethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide;formic acid
CID 155938353
5-chloro-N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 155493873
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4,5-trimethylpyrazole-3-carboxamide
CID 155495486
2-fluoro-N-[[(1S,5S,6R,7R)-3-(3-methylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155500331
2-ethyl-N-[[(1S,5S,6R,7R)-3-methyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155501317
2-methyl-N-[[(1S,5S,6R,7R)-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155500923

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide (CID 155499115) is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide is O=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1cccc(F)c1F.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide?
The InChIKey is MFSKOJNDZJVNMA-LTVCHDBBSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c22-17-7-3-6-14(19(17)23)20(26)24-10-15-16-11-25(13-4-1-2-5-13)12-21(16)9-8-18(15)27-21/h3,6-7,13,15-16,18H,1-2,4-5,8-12H2,(H,24,26)/t15-,16+,18+,21+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide?
N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide has a molecular weight of 376.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,3-difluorobenzamide is sourced from PubChem (CID 155499115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).