N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide

C17H12BrFN2O — CID 60535331

IUPACN-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)c1ccc2ccccc2n1
InChIInChI=1S/C17H12BrFN2O/c18-14-7-6-13(19)9-12(14)10-20-17(22)16-8-5-11-3-1-2-4-15(11)21-16/h1-9H,10H2,(H,20,22)
InChIKeyCDJZVHLXMRMEJU-UHFFFAOYSA-N
MW359.20 g/mol
LogP4.07
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide

N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide (PubChem CID 60535331) has the molecular formula C17H12BrFN2O and a molecular weight of 359.20 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
PubChem CID60535331
Molecular FormulaC17H12BrFN2O
Molecular Weight359.20 g/mol
Exact Mass358.01
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1cc(F)ccc1Br)c1ccc2ccccc2n1
InChIInChI=1S/C17H12BrFN2O/c18-14-7-6-13(19)9-12(14)10-20-17(22)16-8-5-11-3-1-2-4-15(11)21-16/h1-9H,10H2,(H,20,22)
InChIKeyCDJZVHLXMRMEJU-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridine-2-carboxamide
CID 62954591
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 103875325
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
2-bromo-5-fluoro-N-quinolin-2-ylbenzamide
CID 51265955
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide (CID 60535331) is N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide is O=C(NCc1cc(F)ccc1Br)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide?
The InChIKey is CDJZVHLXMRMEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O/c18-14-7-6-13(19)9-12(14)10-20-17(22)16-8-5-11-3-1-2-4-15(11)21-16/h1-9H,10H2,(H,20,22).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide?
N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide has a molecular weight of 359.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 60535331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).