N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide

C18H13F2N3O2 — CID 119050195

IUPACN-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)C(F)F)c1ccc2ccccc2n1
InChIInChI=1S/C18H13F2N3O2/c19-16(20)18(25)23-14-8-4-3-7-13(14)22-17(24)15-10-9-11-5-1-2-6-12(11)21-15/h1-10,16H,(H,22,24)(H,23,25)
InChIKeyMRFKGFCWVYGKMQ-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.69
Rot. Bonds4

About N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide

N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide (PubChem CID 119050195) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
PubChem CID119050195
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)C(F)F)c1ccc2ccccc2n1
InChIInChI=1S/C18H13F2N3O2/c19-16(20)18(25)23-14-8-4-3-7-13(14)22-17(24)15-10-9-11-5-1-2-6-12(11)21-15/h1-10,16H,(H,22,24)(H,23,25)
InChIKeyMRFKGFCWVYGKMQ-UHFFFAOYSA-N
XLogP3.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
8-(quinoline-2-carbonylamino)quinoline-2-carboxylic acid
CID 118902335
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659919

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide (CID 119050195) is N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide is O=C(Nc1ccccc1NC(=O)C(F)F)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide?
The InChIKey is MRFKGFCWVYGKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c19-16(20)18(25)23-14-8-4-3-7-13(14)22-17(24)15-10-9-11-5-1-2-6-12(11)21-15/h1-10,16H,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide?
N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-difluoroacetyl)amino]phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 119050195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).