2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide

C17H14ClFN2O2 — CID 110781570

IUPAC2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
SMILESO=C1CCc2cc(CNC(=O)c3c(F)cccc3Cl)ccc2N1
InChIInChI=1S/C17H14ClFN2O2/c18-12-2-1-3-13(19)16(12)17(23)20-9-10-4-6-14-11(8-10)5-7-15(22)21-14/h1-4,6,8H,5,7,9H2,(H,20,23)(H,21,22)
InChIKeyLFSRTSKKMCJVEN-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide

2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide (PubChem CID 110781570) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
PubChem CID110781570
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
SMILESO=C1CCc2cc(CNC(=O)c3c(F)cccc3Cl)ccc2N1
InChIInChI=1S/C17H14ClFN2O2/c18-12-2-1-3-13(19)16(12)17(23)20-9-10-4-6-14-11(8-10)5-7-15(22)21-14/h1-4,6,8H,5,7,9H2,(H,20,23)(H,21,22)
InChIKeyLFSRTSKKMCJVEN-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]benzamide
CID 110783795
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545
N-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 172894844
N-[(4-fluorophenyl)methyl]-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768429
N-[(3-chlorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911732
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]pyridine-2-carboxamide
CID 110793860
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-[(3-fluoro-4-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31714300
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide (CID 110781570) is 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide is O=C1CCc2cc(CNC(=O)c3c(F)cccc3Cl)ccc2N1.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide?
The InChIKey is LFSRTSKKMCJVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c18-12-2-1-3-13(19)16(12)17(23)20-9-10-4-6-14-11(8-10)5-7-15(22)21-14/h1-4,6,8H,5,7,9H2,(H,20,23)(H,21,22).
What are the key properties of 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide?
2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide has a molecular weight of 332.76 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide is sourced from PubChem (CID 110781570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).