N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide

C20H18BrFN2O2 — CID 55761321

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C20H18BrFN2O2/c1-3-24(12-13-10-14(21)8-9-17(13)22)20(26)16-11-19(25)23(2)18-7-5-4-6-15(16)18/h4-11H,3,12H2,1-2H3
InChIKeyIOIXPOXXFMIKMQ-UHFFFAOYSA-N
MW417.28 g/mol
LogP4.10
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55761321) has the molecular formula C20H18BrFN2O2 and a molecular weight of 417.28 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55761321
Molecular FormulaC20H18BrFN2O2
Molecular Weight417.28 g/mol
Exact Mass416.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCCN(Cc1cc(Br)ccc1F)C(=O)c1cc(=O)n(C)c2ccccc12
InChIInChI=1S/C20H18BrFN2O2/c1-3-24(12-13-10-14(21)8-9-17(13)22)20(26)16-11-19(25)23(2)18-7-5-4-6-15(16)18/h4-11H,3,12H2,1-2H3
InChIKeyIOIXPOXXFMIKMQ-UHFFFAOYSA-N
XLogP4.10
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-nitrobenzamide
CID 55587717
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CID 55594340
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-oxidopyridin-1-ium-2-carboxamide
CID 60506604
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55755141
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 86926377
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 52572827
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CID 55594454
N-[1-[(5-bromo-2-fluorophenyl)methyl-ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 112817434
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-methyl-2-oxo-N-propylquinoline-4-carboxamide
CID 55755026
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 120591123

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide (CID 55761321) is N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide is CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(=O)n(C)c2ccccc12.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is IOIXPOXXFMIKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O2/c1-3-24(12-13-10-14(21)8-9-17(13)22)20(26)16-11-19(25)23(2)18-7-5-4-6-15(16)18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 417.28 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55761321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).