N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide

C23H21FN2O — CID 23850631

IUPACN-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide
SMILESCC1CC(N(C(=O)c2ccccc2)c2cccc(F)c2)c2ccccc2N1
InChIInChI=1S/C23H21FN2O/c1-16-14-22(20-12-5-6-13-21(20)25-16)26(19-11-7-10-18(24)15-19)23(27)17-8-3-2-4-9-17/h2-13,15-16,22,25H,14H2,1H3
InChIKeyOVADERLMUBBPOC-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.42
Rot. Bonds3

About N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide

N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide (PubChem CID 23850631) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide
PubChem CID23850631
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC NameN-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide
SMILESCC1CC(N(C(=O)c2ccccc2)c2cccc(F)c2)c2ccccc2N1
InChIInChI=1S/C23H21FN2O/c1-16-14-22(20-12-5-6-13-21(20)25-16)26(19-11-7-10-18(24)15-19)23(27)17-8-3-2-4-9-17/h2-13,15-16,22,25H,14H2,1H3
InChIKeyOVADERLMUBBPOC-UHFFFAOYSA-N
XLogP5.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide (CID 23850631) is N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide is CC1CC(N(C(=O)c2ccccc2)c2cccc(F)c2)c2ccccc2N1.
What is the InChIKey of N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide?
The InChIKey is OVADERLMUBBPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-16-14-22(20-12-5-6-13-21(20)25-16)26(19-11-7-10-18(24)15-19)23(27)17-8-3-2-4-9-17/h2-13,15-16,22,25H,14H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide?
N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide has a molecular weight of 360.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide is sourced from PubChem (CID 23850631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).