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

C23H20Cl2N2O — CID 99950871

IUPACN-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C23H20Cl2N2O/c24-19-7-3-8-20(22(19)25)26-23(28)18-12-10-16(11-13-18)15-27-14-4-6-17-5-1-2-9-21(17)27/h1-3,5,7-13H,4,6,14-15H2,(H,26,28)
InChIKeyZWZDWRBEVJGWLS-UHFFFAOYSA-N
MW411.33 g/mol
LogP6.20
Rot. Bonds4

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

N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide (PubChem CID 99950871) has the molecular formula C23H20Cl2N2O and a molecular weight of 411.33 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
PubChem CID99950871
Molecular FormulaC23H20Cl2N2O
Molecular Weight411.33 g/mol
Exact Mass410.10
IUPAC NameN-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C23H20Cl2N2O/c24-19-7-3-8-20(22(19)25)26-23(28)18-12-10-16(11-13-18)15-27-14-4-6-17-5-1-2-9-21(17)27/h1-3,5,7-13H,4,6,14-15H2,(H,26,28)
InChIKeyZWZDWRBEVJGWLS-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

methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1202921
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
ethyl 3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]-4-methylbenzoate
CID 92673369
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide (CID 99950871) is N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCc3ccccc32)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The InChIKey is ZWZDWRBEVJGWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O/c24-19-7-3-8-20(22(19)25)26-23(28)18-12-10-16(11-13-18)15-27-14-4-6-17-5-1-2-9-21(17)27/h1-3,5,7-13H,4,6,14-15H2,(H,26,28).
What are the key properties of N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
N-(2,3-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-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide is sourced from PubChem (CID 99950871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).