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

C19H19N3O — CID 38552982

IUPAC4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H19N3O/c20-13-15-5-7-17(8-6-15)19(23)21-10-12-22-11-9-16-3-1-2-4-18(16)14-22/h1-8H,9-12,14H2,(H,21,23)
InChIKeyUANLQOAYTWDPAK-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.35
Rot. Bonds4

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

4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide (PubChem CID 38552982) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
PubChem CID38552982
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H19N3O/c20-13-15-5-7-17(8-6-15)19(23)21-10-12-22-11-9-16-3-1-2-4-18(16)14-22/h1-8H,9-12,14H2,(H,21,23)
InChIKeyUANLQOAYTWDPAK-UHFFFAOYSA-N
XLogP2.35
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide
CID 18797048
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(R)-methylsulfinyl]benzamide
CID 37495319
4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 110442787
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-piperidin-3-ylbenzamide
CID 72846881
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methoxybenzamide
CID 39614213
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 55611520
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 78851426
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 652836
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide (CID 38552982) is 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide is N#Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1.
What is the InChIKey of 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide?
The InChIKey is UANLQOAYTWDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c20-13-15-5-7-17(8-6-15)19(23)21-10-12-22-11-9-16-3-1-2-4-18(16)14-22/h1-8H,9-12,14H2,(H,21,23).
What are the key properties of 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide?
4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide has a molecular weight of 305.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide is sourced from PubChem (CID 38552982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).