N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide

C19H25ClN2O2 — CID 119459098

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(Cl)ccc1OC1CCCC1
InChIInChI=1S/C19H25ClN2O2/c20-12-5-8-18(24-16-3-1-2-4-16)17(9-12)19(23)22-15-10-13-6-7-14(11-15)21-13/h5,8-9,13-16,21H,1-4,6-7,10-11H2,(H,22,23)
InChIKeyNDXXCRLPKAINBX-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.67
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide (PubChem CID 119459098) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide
PubChem CID119459098
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cc(Cl)ccc1OC1CCCC1
InChIInChI=1S/C19H25ClN2O2/c20-12-5-8-18(24-16-3-1-2-4-16)17(9-12)19(23)22-15-10-13-6-7-14(11-15)21-13/h5,8-9,13-16,21H,1-4,6-7,10-11H2,(H,22,23)
InChIKeyNDXXCRLPKAINBX-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-cyclopentyloxy-N-(4-hydroxycyclohexyl)benzamide
CID 111778241
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-propan-2-yloxybenzamide;hydrochloride
CID 119455408
5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(4-hydroxycyclohexyl)benzamide
CID 25279312
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
CID 26320596
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dichloro-2-methoxybenzamide
CID 119457942
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
CID 103805907
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide (CID 119459098) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide is O=C(NC1CC2CCC(C1)N2)c1cc(Cl)ccc1OC1CCCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide?
The InChIKey is NDXXCRLPKAINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-12-5-8-18(24-16-3-1-2-4-16)17(9-12)19(23)22-15-10-13-6-7-14(11-15)21-13/h5,8-9,13-16,21H,1-4,6-7,10-11H2,(H,22,23).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide has a molecular weight of 348.87 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-cyclopentyloxybenzamide is sourced from PubChem (CID 119459098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).