3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide

C11H10ClF3N6O2 — CID 164529259

IUPAC3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(OC(F)(F)F)c(N)c1Cl
InChIInChI=1S/C11H10ClF3N6O2/c1-2-21-10(18-19-20-21)17-9(22)5-3-4-6(8(16)7(5)12)23-11(13,14)15/h3-4H,2,16H2,1H3,(H,17,18,20,22)
InChIKeyCJYCKNAKPAVVAL-UHFFFAOYSA-N
MW350.69 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide

3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 164529259) has the molecular formula C11H10ClF3N6O2 and a molecular weight of 350.69 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID164529259
Molecular FormulaC11H10ClF3N6O2
Molecular Weight350.69 g/mol
Exact Mass350.05
IUPAC Name3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(OC(F)(F)F)c(N)c1Cl
InChIInChI=1S/C11H10ClF3N6O2/c1-2-21-10(18-19-20-21)17-9(22)5-3-4-6(8(16)7(5)12)23-11(13,14)15/h3-4H,2,16H2,1H3,(H,17,18,20,22)
InChIKeyCJYCKNAKPAVVAL-UHFFFAOYSA-N
XLogP2.08
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.69
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(1-ethyltetrazol-5-yl)-3-(2-methylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168841014
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
2-chloro-3-(2-ethylbutanoylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168841030
2-chloro-3-(methylsulfanylmethyl)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 177043628
methyl 3-amino-2-chloro-4-(trifluoromethoxy)benzoate
CID 134645548
2-chloro-4-(difluoromethoxy)-N-(1-ethyltetrazol-5-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 170938721
N-[2-chloro-3-[(1-methyltetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 168841016
N-[2-chloro-3-[(1-methyltetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-2-methylpyridine-4-carboxamide
CID 168841046
3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
CID 957992
4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 126653126
N-(1-ethyltetrazol-5-yl)-7-methyl-1-benzothiophene-6-carboxamide
CID 161497262
3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840965

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 164529259) is 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide is CCn1nnnc1NC(=O)c1ccc(OC(F)(F)F)c(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is CJYCKNAKPAVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N6O2/c1-2-21-10(18-19-20-21)17-9(22)5-3-4-6(8(16)7(5)12)23-11(13,14)15/h3-4H,2,16H2,1H3,(H,17,18,20,22).
What are the key properties of 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 350.69 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 164529259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).