N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide

C22H13Cl2FN2O — CID 142723975

IUPACN-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1-c1cc(Cl)cc(Cl)c1)c1cccc2ncccc12
InChIInChI=1S/C22H13Cl2FN2O/c23-14-9-13(10-15(24)11-14)19-12-16(25)6-7-21(19)27-22(28)18-3-1-5-20-17(18)4-2-8-26-20/h1-12H,(H,27,28)
InChIKeyGWQHJYWTIHOAPR-UHFFFAOYSA-N
MW411.26 g/mol
LogP6.60
Rot. Bonds3

About N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide

N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide (PubChem CID 142723975) has the molecular formula C22H13Cl2FN2O and a molecular weight of 411.26 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide
PubChem CID142723975
Molecular FormulaC22H13Cl2FN2O
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC NameN-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1-c1cc(Cl)cc(Cl)c1)c1cccc2ncccc12
InChIInChI=1S/C22H13Cl2FN2O/c23-14-9-13(10-15(24)11-14)19-12-16(25)6-7-21(19)27-22(28)18-3-1-5-20-17(18)4-2-8-26-20/h1-12H,(H,27,28)
InChIKeyGWQHJYWTIHOAPR-UHFFFAOYSA-N
XLogP6.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.26
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]quinoline-4-carboxamide
CID 91238971
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)quinoline-5-carboxamide
CID 34278013
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide (CID 142723975) is N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide is O=C(Nc1ccc(F)cc1-c1cc(Cl)cc(Cl)c1)c1cccc2ncccc12.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide?
The InChIKey is GWQHJYWTIHOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2FN2O/c23-14-9-13(10-15(24)11-14)19-12-16(25)6-7-21(19)27-22(28)18-3-1-5-20-17(18)4-2-8-26-20/h1-12H,(H,27,28).
What are the key properties of N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide?
N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide has a molecular weight of 411.26 g/mol, XLogP of 6.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)-4-fluorophenyl]quinoline-5-carboxamide is sourced from PubChem (CID 142723975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).