N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride

C14H17Cl2FN2O — CID 170430073

IUPACN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride
SMILESCl.O=C(NC1C[C@H]2CNC[C@H]2C1)c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O.ClH/c15-11-2-1-3-12(16)13(11)14(19)18-10-4-8-6-17-7-9(8)5-10;/h1-3,8-10,17H,4-7H2,(H,18,19);1H/t8-,9+,10?;
InChIKeyJTKYCMKVRMVOTI-CVLICLBHSA-N
MW319.21 g/mol
LogP2.63
Rot. Bonds2

About N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride

N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride (PubChem CID 170430073) has the molecular formula C14H17Cl2FN2O and a molecular weight of 319.21 g/mol. Its IUPAC name is N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride
PubChem CID170430073
Molecular FormulaC14H17Cl2FN2O
Molecular Weight319.21 g/mol
Exact Mass318.07
IUPAC NameN-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride
SMILESCl.O=C(NC1C[C@H]2CNC[C@H]2C1)c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O.ClH/c15-11-2-1-3-12(16)13(11)14(19)18-10-4-8-6-17-7-9(8)5-10;/h1-3,8-10,17H,4-7H2,(H,18,19);1H/t8-,9+,10?;
InChIKeyJTKYCMKVRMVOTI-CVLICLBHSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
CID 61231775
2-chloro-6-fluoro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039843
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide
CID 98815691
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride?
The IUPAC name of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride (CID 170430073) is N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride is Cl.O=C(NC1C[C@H]2CNC[C@H]2C1)c1c(F)cccc1Cl.
What is the InChIKey of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride?
The InChIKey is JTKYCMKVRMVOTI-CVLICLBHSA-N. The full InChI is InChI=1S/C14H16ClFN2O.ClH/c15-11-2-1-3-12(16)13(11)14(19)18-10-4-8-6-17-7-9(8)5-10;/h1-3,8-10,17H,4-7H2,(H,18,19);1H/t8-,9+,10?;.
What are the key properties of N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride?
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride has a molecular weight of 319.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride is sourced from PubChem (CID 170430073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).