3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C13H11ClF3N5O2 — CID 137462685

IUPAC3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C(C)=O)c1Cl
InChIInChI=1S/C13H11ClF3N5O2/c1-3-22-12(19-20-21-22)18-11(24)7-4-5-8(13(15,16)17)9(6(2)23)10(7)14/h4-5H,3H2,1-2H3,(H,18,19,21,24)
InChIKeyPZYISDVRYFKDOO-UHFFFAOYSA-N
MW361.71 g/mol
LogP2.82
Rot. Bonds4

About 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 137462685) has the molecular formula C13H11ClF3N5O2 and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID137462685
Molecular FormulaC13H11ClF3N5O2
Molecular Weight361.71 g/mol
Exact Mass361.06
IUPAC Name3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C(C)=O)c1Cl
InChIInChI=1S/C13H11ClF3N5O2/c1-3-22-12(19-20-21-22)18-11(24)7-4-5-8(13(15,16)17)9(6(2)23)10(7)14/h4-5H,3H2,1-2H3,(H,18,19,21,24)
InChIKeyPZYISDVRYFKDOO-UHFFFAOYSA-N
XLogP2.82
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 137462685) is 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is CCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C(C)=O)c1Cl.
What is the InChIKey of 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PZYISDVRYFKDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N5O2/c1-3-22-12(19-20-21-22)18-11(24)7-4-5-8(13(15,16)17)9(6(2)23)10(7)14/h4-5H,3H2,1-2H3,(H,18,19,21,24).
What are the key properties of 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 361.71 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 137462685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).