4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide

C13H15FN6O — CID 170434171

IUPAC4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide
SMILESNc1cc(F)c(C(=O)NC2CCCC2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C13H15FN6O/c14-10-6-7(15)5-9(12-17-19-20-18-12)11(10)13(21)16-8-3-1-2-4-8/h5-6,8H,1-4,15H2,(H,16,21)(H,17,18,19,20)
InChIKeyDRRFFBBGFQFSLW-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.26
Rot. Bonds3

About 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide

4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide (PubChem CID 170434171) has the molecular formula C13H15FN6O and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide
PubChem CID170434171
Molecular FormulaC13H15FN6O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide
SMILESNc1cc(F)c(C(=O)NC2CCCC2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C13H15FN6O/c14-10-6-7(15)5-9(12-17-19-20-18-12)11(10)13(21)16-8-3-1-2-4-8/h5-6,8H,1-4,15H2,(H,16,21)(H,17,18,19,20)
InChIKeyDRRFFBBGFQFSLW-UHFFFAOYSA-N
XLogP1.26
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide (CID 170434171) is 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide is Nc1cc(F)c(C(=O)NC2CCCC2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide?
The InChIKey is DRRFFBBGFQFSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O/c14-10-6-7(15)5-9(12-17-19-20-18-12)11(10)13(21)16-8-3-1-2-4-8/h5-6,8H,1-4,15H2,(H,16,21)(H,17,18,19,20).
What are the key properties of 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide?
4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide has a molecular weight of 290.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-2-fluoro-6-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 170434171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).