N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide

C17H12BrFN2O — CID 39849351

IUPACN-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H12BrFN2O/c1-10-7-16(14-9-12(18)5-6-15(14)20-10)21-17(22)11-3-2-4-13(19)8-11/h2-9H,1H3,(H,20,21,22)
InChIKeyXVYRXOVBFQSREV-UHFFFAOYSA-N
MW359.20 g/mol
LogP4.70
Rot. Bonds2

About N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide

N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide (PubChem CID 39849351) has the molecular formula C17H12BrFN2O and a molecular weight of 359.20 g/mol. Its IUPAC name is N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide
PubChem CID39849351
Molecular FormulaC17H12BrFN2O
Molecular Weight359.20 g/mol
Exact Mass358.01
IUPAC NameN-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)c2cc(Br)ccc2n1
InChIInChI=1S/C17H12BrFN2O/c1-10-7-16(14-9-12(18)5-6-15(14)20-10)21-17(22)11-3-2-4-13(19)8-11/h2-9H,1H3,(H,20,21,22)
InChIKeyXVYRXOVBFQSREV-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
CID 107020202
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
CID 39850982
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39850616
3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride
CID 52994929
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide?
The IUPAC name of N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide (CID 39849351) is N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide?
The canonical SMILES for N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide is Cc1cc(NC(=O)c2cccc(F)c2)c2cc(Br)ccc2n1.
What is the InChIKey of N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide?
The InChIKey is XVYRXOVBFQSREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O/c1-10-7-16(14-9-12(18)5-6-15(14)20-10)21-17(22)11-3-2-4-13(19)8-11/h2-9H,1H3,(H,20,21,22).
What are the key properties of N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide?
N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide has a molecular weight of 359.20 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methylquinolin-4-yl)-3-fluorobenzamide is sourced from PubChem (CID 39849351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).