N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

C13H9F2N5O2 — CID 27555010

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C13H9F2N5O2/c14-9-4-3-8(6-10(9)15)20-12(17-18-19-20)7-16-13(21)11-2-1-5-22-11/h1-6H,7H2,(H,16,21)
InChIKeyQFOWZPKLINMYSI-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.46
Rot. Bonds4

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 27555010) has the molecular formula C13H9F2N5O2 and a molecular weight of 305.24 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
PubChem CID27555010
Molecular FormulaC13H9F2N5O2
Molecular Weight305.24 g/mol
Exact Mass305.07
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C13H9F2N5O2/c14-9-4-3-8(6-10(9)15)20-12(17-18-19-20)7-16-13(21)11-2-1-5-22-11/h1-6H,7H2,(H,16,21)
InChIKeyQFOWZPKLINMYSI-UHFFFAOYSA-N
XLogP1.46
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-Fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide
CID 1080944
N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 649855
N-Furan-2-ylmethyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 673910
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 703016
N~3~-(2-furylmethyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 884997
N-{[4-allyl-5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]methyl}-2-furamide
CID 1262218
N-{[4-(4-fluorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-furamide
CID 3243337
5-bromo-N-((1-(4-chlorophenyl)-1H-tetrazol-5-yl)methyl)furan-2-carboxamide
CID 16799259
N-{[1-(4-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-5-nitrofuran-2-carboxamide
CID 16799315
ethyl ({4-(4-fluorophenyl)-5-[(2-furoylamino)methyl]-4H-1,2,4-triazol-3-yl}thio)acetate
CID 2159421
N-[[5-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 2239281
1-(4-Fluoro-phenyl)-3-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-urea
CID 648781

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide (CID 27555010) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccco1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is QFOWZPKLINMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O2/c14-9-4-3-8(6-10(9)15)20-12(17-18-19-20)7-16-13(21)11-2-1-5-22-11/h1-6H,7H2,(H,16,21).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 305.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 27555010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).