N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline

C14H14FN5O — CID 62346177

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESCCc1ccc(CNc2cc(-n3cnnn3)ccc2F)o1
InChIInChI=1S/C14H14FN5O/c1-2-11-4-5-12(21-11)8-16-14-7-10(3-6-13(14)15)20-9-17-18-19-20/h3-7,9,16H,2,8H2,1H3
InChIKeySBDOBDJXHICDLT-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.57
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline

N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline (PubChem CID 62346177) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
PubChem CID62346177
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESCCc1ccc(CNc2cc(-n3cnnn3)ccc2F)o1
InChIInChI=1S/C14H14FN5O/c1-2-11-4-5-12(21-11)8-16-14-7-10(3-6-13(14)15)20-9-17-18-19-20/h3-7,9,16H,2,8H2,1H3
InChIKeySBDOBDJXHICDLT-UHFFFAOYSA-N
XLogP2.57
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 55820884
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 115380162
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[(4,5-dibromofuran-2-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 62085376
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 54864011
4-ethyl-1-[[2-fluoro-5-(tetrazol-1-yl)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 56514011
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline (CID 62346177) is N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline is CCc1ccc(CNc2cc(-n3cnnn3)ccc2F)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The InChIKey is SBDOBDJXHICDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-2-11-4-5-12(21-11)8-16-14-7-10(3-6-13(14)15)20-9-17-18-19-20/h3-7,9,16H,2,8H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline has a molecular weight of 287.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62346177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).