3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide

C15H11F3N6O — CID 70688017

IUPAC3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)10-4-9(5-11(19)7-10)14(25)20-12-3-1-2-8(6-12)13-21-23-24-22-13/h1-7H,19H2,(H,20,25)(H,21,22,23,24)
InChIKeyLHVITJKAAOBDHR-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.72
Rot. Bonds3

About 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide

3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 70688017) has the molecular formula C15H11F3N6O and a molecular weight of 348.29 g/mol. Its IUPAC name is 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
PubChem CID70688017
Molecular FormulaC15H11F3N6O
Molecular Weight348.29 g/mol
Exact Mass348.09
IUPAC Name3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide
SMILESNc1cc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N6O/c16-15(17,18)10-4-9(5-11(19)7-10)14(25)20-12-3-1-2-8(6-12)13-21-23-24-22-13/h1-7H,19H2,(H,20,25)(H,21,22,23,24)
InChIKeyLHVITJKAAOBDHR-UHFFFAOYSA-N
XLogP2.72
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Andolast
CID 65970
3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6470990
N-[3-(2H-tetrazol-5-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 49872771
N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 6465386
3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
3-[(Dimethylamino)methyl]-N-[3-(1h-Tetrazol-5-Yl)phenyl]benzamide
CID 56851707
N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134130015
3-Cyclopropyl-N-[3-(1H-tetrazol-5-yl)-phenyl]-benzamide
CID 70683748
3-Cyano-N-[3-(1H-tetrazol-5-yl)-phenyl]-benzamide
CID 70696355
N-[6-(2-aminoanilino)-6-oxohexyl]-3-(2H-tetrazol-5-yl)benzamide
CID 60207640
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137628322
N-{4-[2-(Carbamoylmethyl)-1,2,3,4-tetrazol-5-YL]phenyl}-4-fluorobenzamide
CID 1440016

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide (CID 70688017) is 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide is Nc1cc(C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is LHVITJKAAOBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O/c16-15(17,18)10-4-9(5-11(19)7-10)14(25)20-12-3-1-2-8(6-12)13-21-23-24-22-13/h1-7H,19H2,(H,20,25)(H,21,22,23,24).
What are the key properties of 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide?
3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 348.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70688017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).