N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide

C23H20N2O2 — CID 17018926

IUPACN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O2/c26-22(18-7-2-1-3-8-18)24-21-12-10-19(11-13-21)23(27)25-15-14-17-6-4-5-9-20(17)16-25/h1-13H,14-16H2,(H,24,26)
InChIKeyGOBMFCOOGOJUHT-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.14
Rot. Bonds3

About N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide

N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide (PubChem CID 17018926) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
PubChem CID17018926
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1)c1ccccc1
InChIInChI=1S/C23H20N2O2/c26-22(18-7-2-1-3-8-18)24-21-12-10-19(11-13-21)23(27)25-15-14-17-6-4-5-9-20(17)16-25/h1-13H,14-16H2,(H,24,26)
InChIKeyGOBMFCOOGOJUHT-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide (CID 17018926) is N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide?
The InChIKey is GOBMFCOOGOJUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-22(18-7-2-1-3-8-18)24-21-12-10-19(11-13-21)23(27)25-15-14-17-6-4-5-9-20(17)16-25/h1-13H,14-16H2,(H,24,26).
What are the key properties of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide?
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17018926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).