4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

C21H27ClN2O2 — CID 153288851

IUPAC4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(NCC(=O)C3CC3)CC21
InChIInChI=1S/C21H27ClN2O2/c1-2-18(24-21(26)13-5-7-14(22)8-6-13)20-16-9-15(10-17(16)20)23-11-19(25)12-3-4-12/h5-8,12,15-18,20,23H,2-4,9-11H2,1H3,(H,24,26)
InChIKeyYFVHNALHSLNAOC-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.44
Rot. Bonds8

About 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (PubChem CID 153288851) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
PubChem CID153288851
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(NCC(=O)C3CC3)CC21
InChIInChI=1S/C21H27ClN2O2/c1-2-18(24-21(26)13-5-7-14(22)8-6-13)20-16-9-15(10-17(16)20)23-11-19(25)12-3-4-12/h5-8,12,15-18,20,23H,2-4,9-11H2,1H3,(H,24,26)
InChIKeyYFVHNALHSLNAOC-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (CID 153288851) is 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(NCC(=O)C3CC3)CC21.
What is the InChIKey of 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
The InChIKey is YFVHNALHSLNAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-2-18(24-21(26)13-5-7-14(22)8-6-13)20-16-9-15(10-17(16)20)23-11-19(25)12-3-4-12/h5-8,12,15-18,20,23H,2-4,9-11H2,1H3,(H,24,26).
What are the key properties of 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?
4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide has a molecular weight of 374.91 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-[(2-cyclopropyl-2-oxoethyl)amino]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is sourced from PubChem (CID 153288851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).