N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide

C23H19ClN2O2 — CID 109047922

IUPACN-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H19ClN2O2/c24-20-7-3-4-8-21(20)25-22(27)17-9-11-18(12-10-17)23(28)26-14-13-16-5-1-2-6-19(16)15-26/h1-12H,13-15H2,(H,25,27)
InChIKeyVKSDZOZKVRKLLJ-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.79
Rot. Bonds3

About N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide

N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide (PubChem CID 109047922) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
PubChem CID109047922
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC NameN-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(C(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C23H19ClN2O2/c24-20-7-3-4-8-21(20)25-22(27)17-9-11-18(12-10-17)23(28)26-14-13-16-5-1-2-6-19(16)15-26/h1-12H,13-15H2,(H,25,27)
InChIKeyVKSDZOZKVRKLLJ-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109047920
N-(2-chlorophenyl)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
CID 109098517
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
CID 109046496
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1202921
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
[2-(2,3-dichloroanilino)pyrimidin-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109259719
N-(2,3-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044378
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3,5-dimethylphenyl)benzamide
CID 109055346

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide (CID 109047922) is N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide is O=C(Nc1ccccc1Cl)c1ccc(C(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide?
The InChIKey is VKSDZOZKVRKLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-20-7-3-4-8-21(20)25-22(27)17-9-11-18(12-10-17)23(28)26-14-13-16-5-1-2-6-19(16)15-26/h1-12H,13-15H2,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide?
N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide has a molecular weight of 390.87 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide is sourced from PubChem (CID 109047922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).