N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide

C23H18F2N2O2 — CID 109055372

IUPACN-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
SMILESO=C(Nc1c(F)cccc1F)c1cccc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C23H18F2N2O2/c24-19-9-4-10-20(25)21(19)26-22(28)16-7-3-8-17(13-16)23(29)27-12-11-15-5-1-2-6-18(15)14-27/h1-10,13H,11-12,14H2,(H,26,28)
InChIKeyFSJBRGWBILRWQN-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.42
Rot. Bonds3

About N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide

N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide (PubChem CID 109055372) has the molecular formula C23H18F2N2O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
PubChem CID109055372
Molecular FormulaC23H18F2N2O2
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC NameN-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
SMILESO=C(Nc1c(F)cccc1F)c1cccc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C23H18F2N2O2/c24-19-9-4-10-20(25)21(19)26-22(28)16-7-3-8-17(13-16)23(29)27-12-11-15-5-1-2-6-18(15)14-27/h1-10,13H,11-12,14H2,(H,26,28)
InChIKeyFSJBRGWBILRWQN-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3,5-dimethylphenyl)benzamide
CID 109055346
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109047920
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-pentylbenzamide
CID 109055330
[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109236119
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
N-(3-acetylphenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide
CID 109047928
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056590
3,4-dihydro-1H-isoquinolin-2-yl-(2-fluorophenyl)methanone
CID 669198

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide (CID 109055372) is N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide is O=C(Nc1c(F)cccc1F)c1cccc(C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide?
The InChIKey is FSJBRGWBILRWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O2/c24-19-9-4-10-20(25)21(19)26-22(28)16-7-3-8-17(13-16)23(29)27-12-11-15-5-1-2-6-18(15)14-27/h1-10,13H,11-12,14H2,(H,26,28).
What are the key properties of N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide?
N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide has a molecular weight of 392.41 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzamide is sourced from PubChem (CID 109055372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).