4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide

C20H27ClN2O — CID 167817061

IUPAC4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
SMILESO=C(NC1[C@H]2CN(CCCC3CCCC3)C[C@@H]12)c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O/c21-16-9-7-15(8-10-16)20(24)22-19-17-12-23(13-18(17)19)11-3-6-14-4-1-2-5-14/h7-10,14,17-19H,1-6,11-13H2,(H,22,24)/t17-,18+,19?
InChIKeyQTTRHZHICGPMDK-DFNIBXOVSA-N
MW346.90 g/mol
LogP3.97
Rot. Bonds6

About 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide

4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide (PubChem CID 167817061) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
PubChem CID167817061
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide
SMILESO=C(NC1[C@H]2CN(CCCC3CCCC3)C[C@@H]12)c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O/c21-16-9-7-15(8-10-16)20(24)22-19-17-12-23(13-18(17)19)11-3-6-14-4-1-2-5-14/h7-10,14,17-19H,1-6,11-13H2,(H,22,24)/t17-,18+,19?
InChIKeyQTTRHZHICGPMDK-DFNIBXOVSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?
The IUPAC name of 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide (CID 167817061) is 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide is O=C(NC1[C@H]2CN(CCCC3CCCC3)C[C@@H]12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?
The InChIKey is QTTRHZHICGPMDK-DFNIBXOVSA-N. The full InChI is InChI=1S/C20H27ClN2O/c21-16-9-7-15(8-10-16)20(24)22-19-17-12-23(13-18(17)19)11-3-6-14-4-1-2-5-14/h7-10,14,17-19H,1-6,11-13H2,(H,22,24)/t17-,18+,19?.
What are the key properties of 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide?
4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide has a molecular weight of 346.90 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,5S)-3-(3-cyclopentylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]benzamide is sourced from PubChem (CID 167817061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).