N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide

C23H20Cl2N2O — CID 99955766

IUPACN-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C23H20Cl2N2O/c24-20-12-11-19(14-21(20)25)26-23(28)18-9-7-16(8-10-18)15-27-13-3-5-17-4-1-2-6-22(17)27/h1-2,4,6-12,14H,3,5,13,15H2,(H,26,28)
InChIKeyHXFUBLWSDDEKCK-UHFFFAOYSA-N
MW411.33 g/mol
LogP6.20
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide

N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide (PubChem CID 99955766) has the molecular formula C23H20Cl2N2O and a molecular weight of 411.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
PubChem CID99955766
Molecular FormulaC23H20Cl2N2O
Molecular Weight411.33 g/mol
Exact Mass410.10
IUPAC NameN-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C23H20Cl2N2O/c24-20-12-11-19(14-21(20)25)26-23(28)18-9-7-16(8-10-18)15-27-13-3-5-17-4-1-2-6-22(17)27/h1-2,4,6-12,14H,3,5,13,15H2,(H,26,28)
InChIKeyHXFUBLWSDDEKCK-UHFFFAOYSA-N
XLogP6.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 30388395
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 38009605
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide (CID 99955766) is N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCc3ccccc32)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The InChIKey is HXFUBLWSDDEKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O/c24-20-12-11-19(14-21(20)25)26-23(28)18-9-7-16(8-10-18)15-27-13-3-5-17-4-1-2-6-22(17)27/h1-2,4,6-12,14H,3,5,13,15H2,(H,26,28).
What are the key properties of N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide has a molecular weight of 411.33 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide is sourced from PubChem (CID 99955766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).