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

C14H17ClN2O — CID 98815691

IUPACN-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide
SMILESO=C(NC1C[C@H]2CNC[C@H]2C1)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-2-9(4-12)14(18)17-13-5-10-7-16-8-11(10)6-13/h1-4,10-11,13,16H,5-8H2,(H,17,18)/t10-,11+,13?
InChIKeyIFTJZDLOGUGOGR-QYJAPNMZSA-N
MW264.76 g/mol
LogP2.07
Rot. Bonds2

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

N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide (PubChem CID 98815691) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide
PubChem CID98815691
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC NameN-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide
SMILESO=C(NC1C[C@H]2CNC[C@H]2C1)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c15-12-3-1-2-9(4-12)14(18)17-13-5-10-7-16-8-11(10)6-13/h1-4,10-11,13,16H,5-8H2,(H,17,18)/t10-,11+,13?
InChIKeyIFTJZDLOGUGOGR-QYJAPNMZSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
CID 95983840
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 170430073
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)amino]cyclohexane-1-carboxylate
CID 156759054
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide?
The IUPAC name of N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide (CID 98815691) is N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide?
The canonical SMILES for N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide is O=C(NC1C[C@H]2CNC[C@H]2C1)c1cccc(Cl)c1.
What is the InChIKey of N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide?
The InChIKey is IFTJZDLOGUGOGR-QYJAPNMZSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-3-1-2-9(4-12)14(18)17-13-5-10-7-16-8-11(10)6-13/h1-4,10-11,13,16H,5-8H2,(H,17,18)/t10-,11+,13?.
What are the key properties of N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide?
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide has a molecular weight of 264.76 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-3-chlorobenzamide is sourced from PubChem (CID 98815691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).