2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide

C22H21ClN2O2 — CID 7525467

About 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide

2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 7525467) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide
• PubChem CID: 7525467
• Molecular Formula: C22H21ClN2O2
• Molecular Weight: 380.88 g/mol
• Exact Mass: 380.13
• IUPAC Name: 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide
• SMILES: O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1Cl
• InChI: InChI=1S/C22H21ClN2O2/c23-19-9-4-3-8-18(19)22(26)24-14-20(21-10-5-13-27-21)25-12-11-16-6-1-2-7-17(16)15-25/h1-10,13,20H,11-12,14-15H2,(H,24,26)/t20-/m0/s1
• InChIKey: DMWDQGXHJWRGSC-FQEVSTJZSA-N
• XLogP: 4.46
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.88
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide?

The IUPAC name of 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide (CID 7525467) is 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide.

What is the SMILES notation for 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide?

The canonical SMILES for 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide is O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide?

The InChIKey is DMWDQGXHJWRGSC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c23-19-9-4-3-8-18(19)22(26)24-14-20(21-10-5-13-27-21)25-12-11-16-6-1-2-7-17(16)15-25/h1-10,13,20H,11-12,14-15H2,(H,24,26)/t20-/m0/s1.

What are the key properties of 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide?

2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 380.88 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 7525467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).