N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C10H16F2N2O2 — CID 106176726

IUPACN-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CC2CCC1N2
InChIInChI=1S/C10H16F2N2O2/c11-10(12,5-15)4-13-9(16)7-3-6-1-2-8(7)14-6/h6-8,14-15H,1-5H2,(H,13,16)
InChIKeyXBRNFYMFBNZHRJ-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.13
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106176726) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106176726
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC(F)(F)CO)C1CC2CCC1N2
InChIInChI=1S/C10H16F2N2O2/c11-10(12,5-15)4-13-9(16)7-3-6-1-2-8(7)14-6/h6-8,14-15H,1-5H2,(H,13,16)
InChIKeyXBRNFYMFBNZHRJ-UHFFFAOYSA-N
XLogP-0.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114150080
N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107842560
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 112701950
N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 115739349
N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106096594
N-[2-(2-hydroxyethyl)pentyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114145522
N-[2-(dimethylsulfamoyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114175261
N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106135216
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 172598940
N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113267465
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
5-(7-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-methylpentanoic acid
CID 113441124

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 106176726) is N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC(F)(F)CO)C1CC2CCC1N2.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XBRNFYMFBNZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12,5-15)4-13-9(16)7-3-6-1-2-8(7)14-6/h6-8,14-15H,1-5H2,(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106176726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).