N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide

C20H27ClN2O — CID 19963661

IUPACN-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCN1CC2CC(c3ccc(Cl)cc3)C2C1)C1CCCC1
InChIInChI=1S/C20H27ClN2O/c21-17-7-5-14(6-8-17)18-11-16-12-23(13-19(16)18)10-9-22-20(24)15-3-1-2-4-15/h5-8,15-16,18-19H,1-4,9-13H2,(H,22,24)
InChIKeyRRSDGGKHDZOEBA-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.68
Rot. Bonds5

About N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide

N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide (PubChem CID 19963661) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide
PubChem CID19963661
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC NameN-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCN1CC2CC(c3ccc(Cl)cc3)C2C1)C1CCCC1
InChIInChI=1S/C20H27ClN2O/c21-17-7-5-14(6-8-17)18-11-16-12-23(13-19(16)18)10-9-22-20(24)15-3-1-2-4-15/h5-8,15-16,18-19H,1-4,9-13H2,(H,22,24)
InChIKeyRRSDGGKHDZOEBA-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 22322231
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 55634055
N-[2-[(3S,5S)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethyl]cyclopentanecarboxamide
CID 97252247
N-[2-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 3398418
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(azepan-1-yl)ethyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55613661
N-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916653
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylsulfanylethyl)piperidine-3-carboxamide
CID 32543820
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 53008811
N-[2-[(3R)-4-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 25164952

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide (CID 19963661) is N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide is O=C(NCCN1CC2CC(c3ccc(Cl)cc3)C2C1)C1CCCC1.
What is the InChIKey of N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is RRSDGGKHDZOEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c21-17-7-5-14(6-8-17)18-11-16-12-23(13-19(16)18)10-9-22-20(24)15-3-1-2-4-15/h5-8,15-16,18-19H,1-4,9-13H2,(H,22,24).
What are the key properties of N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide?
N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 346.90 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 19963661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).