2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C23H13BrClF3N2O — CID 3500821

IUPAC2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C23H13BrClF3N2O/c24-15-5-3-4-13(10-15)20-12-17(16-6-1-2-7-19(16)29-20)22(31)30-21-11-14(23(26,27)28)8-9-18(21)25/h1-12H,(H,30,31)
InChIKeyYXOGJHRYTCDXKK-UHFFFAOYSA-N
MW505.72 g/mol
LogP7.59
Rot. Bonds3

About 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide

2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 3500821) has the molecular formula C23H13BrClF3N2O and a molecular weight of 505.72 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID3500821
Molecular FormulaC23H13BrClF3N2O
Molecular Weight505.72 g/mol
Exact Mass503.99
IUPAC Name2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C23H13BrClF3N2O/c24-15-5-3-4-13(10-15)20-12-17(16-6-1-2-7-19(16)29-20)22(31)30-21-11-14(23(26,27)28)8-9-18(21)25/h1-12H,(H,30,31)
InChIKeyYXOGJHRYTCDXKK-UHFFFAOYSA-N
XLogP7.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.72
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3128616
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 5207442
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
2-(3-bromophenyl)-N-(2,3,4,5,6-pentafluorophenyl)quinoline-4-carboxamide
CID 3535880
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
CID 5102914
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
2-(3-bromophenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 26890699
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647664

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 3500821) is 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is YXOGJHRYTCDXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrClF3N2O/c24-15-5-3-4-13(10-15)20-12-17(16-6-1-2-7-19(16)29-20)22(31)30-21-11-14(23(26,27)28)8-9-18(21)25/h1-12H,(H,30,31).
What are the key properties of 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 505.72 g/mol, XLogP of 7.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3500821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).