N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide

C12H7ClF4N2O — CID 103732428

IUPACN-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc(Cl)c2ncccc12)C(F)(F)C(F)F
InChIInChI=1S/C12H7ClF4N2O/c13-7-3-4-8(6-2-1-5-18-9(6)7)19-11(20)12(16,17)10(14)15/h1-5,10H,(H,19,20)
InChIKeyOUKJSFXNIQRSCD-UHFFFAOYSA-N
MW306.65 g/mol
LogP3.73
Rot. Bonds3

About N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide

N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103732428) has the molecular formula C12H7ClF4N2O and a molecular weight of 306.65 g/mol. Its IUPAC name is N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103732428
Molecular FormulaC12H7ClF4N2O
Molecular Weight306.65 g/mol
Exact Mass306.02
IUPAC NameN-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc(Cl)c2ncccc12)C(F)(F)C(F)F
InChIInChI=1S/C12H7ClF4N2O/c13-7-3-4-8(6-2-1-5-18-9(6)7)19-11(20)12(16,17)10(14)15/h1-5,10H,(H,19,20)
InChIKeyOUKJSFXNIQRSCD-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.65
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-8-methylquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide
CID 103737695
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032415
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
dimethyl (E)-2-[(8-chloroquinolin-5-yl)amino]but-2-enedioate
CID 168570415
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986

Frequently Asked Questions

What is the IUPAC name of N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide (CID 103732428) is N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide is O=C(Nc1ccc(Cl)c2ncccc12)C(F)(F)C(F)F.
What is the InChIKey of N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is OUKJSFXNIQRSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF4N2O/c13-7-3-4-8(6-2-1-5-18-9(6)7)19-11(20)12(16,17)10(14)15/h1-5,10H,(H,19,20).
What are the key properties of N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide?
N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 306.65 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloroquinolin-5-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103732428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).