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

C23H20F2N2O — CID 38005181

IUPACN-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C23H20F2N2O/c24-19-11-12-21(20(25)14-19)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)
InChIKeyLSBQTBFHPZONQZ-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.17
Rot. Bonds4

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

N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide (PubChem CID 38005181) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
PubChem CID38005181
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC NameN-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(CN2CCCc3ccccc32)cc1
InChIInChI=1S/C23H20F2N2O/c24-19-11-12-21(20(25)14-19)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)
InChIKeyLSBQTBFHPZONQZ-UHFFFAOYSA-N
XLogP5.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
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-(2,4-difluorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162499
ethyl 3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]-4-methylbenzoate
CID 92673369
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide (CID 38005181) is N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide is O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCCc3ccccc32)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
The InChIKey is LSBQTBFHPZONQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O/c24-19-11-12-21(20(25)14-19)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-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide?
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide has a molecular weight of 378.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide is sourced from PubChem (CID 38005181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).