N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide

C18H14BrFN2O — CID 55978468

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C18H14BrFN2O/c19-15-7-12(8-16(20)10-15)11-22-17(23)9-14-4-1-3-13-5-2-6-21-18(13)14/h1-8,10H,9,11H2,(H,22,23)
InChIKeyQRXZPSPDRGHOIK-UHFFFAOYSA-N
MW373.23 g/mol
LogP4.00
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide

N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide (PubChem CID 55978468) has the molecular formula C18H14BrFN2O and a molecular weight of 373.23 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
PubChem CID55978468
Molecular FormulaC18H14BrFN2O
Molecular Weight373.23 g/mol
Exact Mass372.03
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C18H14BrFN2O/c19-15-7-12(8-16(20)10-15)11-22-17(23)9-14-4-1-3-13-5-2-6-21-18(13)14/h1-8,10H,9,11H2,(H,22,23)
InChIKeyQRXZPSPDRGHOIK-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-bromo-N-(quinolin-8-ylmethyl)pyridine-4-carboxamide
CID 103754997
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
N-(4-chloro-2-fluorophenyl)-2-quinolin-8-ylacetamide
CID 24663705
2-(3-bromo-5-fluorophenyl)-1-quinolin-6-ylethanone
CID 79699269
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide (CID 55978468) is N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide is O=C(Cc1cccc2cccnc12)NCc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide?
The InChIKey is QRXZPSPDRGHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O/c19-15-7-12(8-16(20)10-15)11-22-17(23)9-14-4-1-3-13-5-2-6-21-18(13)14/h1-8,10H,9,11H2,(H,22,23).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide?
N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide has a molecular weight of 373.23 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 55978468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).