N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide

C14H11ClF4N2O3 — CID 1091771

IUPACN-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(COCC(F)(F)C(F)F)o1
InChIInChI=1S/C14H11ClF4N2O3/c15-8-1-4-11(20-5-8)21-12(22)10-3-2-9(24-10)6-23-7-14(18,19)13(16)17/h1-5,13H,6-7H2,(H,20,21,22)
InChIKeyTXARXIJYBYDDJW-UHFFFAOYSA-N
MW366.70 g/mol
LogP4.00
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide

N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide (PubChem CID 1091771) has the molecular formula C14H11ClF4N2O3 and a molecular weight of 366.70 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
PubChem CID1091771
Molecular FormulaC14H11ClF4N2O3
Molecular Weight366.70 g/mol
Exact Mass366.04
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(COCC(F)(F)C(F)F)o1
InChIInChI=1S/C14H11ClF4N2O3/c15-8-1-4-11(20-5-8)21-12(22)10-3-2-9(24-10)6-23-7-14(18,19)13(16)17/h1-5,13H,6-7H2,(H,20,21,22)
InChIKeyTXARXIJYBYDDJW-UHFFFAOYSA-N
XLogP4.00
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.70
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 5058874
5-[(4-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)-2-furamide
CID 725940
2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl 2-furoate
CID 2586389
[1-[(5-Chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 3433652
[1-[(3,5-Dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] furan-2-carboxylate
CID 16303347
N-(3-methyl-2-pyridinyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24239957
N-(5-methyl-2-pyridinyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24243657
5-[(2-chlorophenoxy)methyl]-N-(2-pyridinyl)-2-furamide
CID 1225502
5-[(2-bromophenoxy)methyl]-N-(5-chloropyridin-2-yl)furan-2-carboxamide
CID 1269634
N-(5-chloropyridin-2-yl)-1-benzofuran-2-carboxamide
CID 673886
5-chloro-N-(4-methylpyridin-2-yl)furan-2-carboxamide
CID 30138657
N-(5-chloropyridin-2-yl)-5-nitrofuran-2-carboxamide
CID 952234

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide (CID 1091771) is N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccc(COCC(F)(F)C(F)F)o1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
The InChIKey is TXARXIJYBYDDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF4N2O3/c15-8-1-4-11(20-5-8)21-12(22)10-3-2-9(24-10)6-23-7-14(18,19)13(16)17/h1-5,13H,6-7H2,(H,20,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide?
N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide has a molecular weight of 366.70 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(2,2,3,3-tetrafluoropropoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 1091771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).