4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide

C13H15F2N5O — CID 147229389

IUPAC4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide
SMILESCCn1nnnc1NC(=O)c1ccc(C(F)F)c(C)c1C
InChIInChI=1S/C13H15F2N5O/c1-4-20-13(17-18-19-20)16-12(21)10-6-5-9(11(14)15)7(2)8(10)3/h5-6,11H,4H2,1-3H3,(H,16,17,19,21)
InChIKeyCIPLMFHQIJRQCU-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.50
Rot. Bonds4

About 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide

4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide (PubChem CID 147229389) has the molecular formula C13H15F2N5O and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide
PubChem CID147229389
Molecular FormulaC13H15F2N5O
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide
SMILESCCn1nnnc1NC(=O)c1ccc(C(F)F)c(C)c1C
InChIInChI=1S/C13H15F2N5O/c1-4-20-13(17-18-19-20)16-12(21)10-6-5-9(11(14)15)7(2)8(10)3/h5-6,11H,4H2,1-3H3,(H,16,17,19,21)
InChIKeyCIPLMFHQIJRQCU-UHFFFAOYSA-N
XLogP2.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide?
The IUPAC name of 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide (CID 147229389) is 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide?
The canonical SMILES for 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide is CCn1nnnc1NC(=O)c1ccc(C(F)F)c(C)c1C.
What is the InChIKey of 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide?
The InChIKey is CIPLMFHQIJRQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O/c1-4-20-13(17-18-19-20)16-12(21)10-6-5-9(11(14)15)7(2)8(10)3/h5-6,11H,4H2,1-3H3,(H,16,17,19,21).
What are the key properties of 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide?
4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide has a molecular weight of 295.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-(1-ethyltetrazol-5-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 147229389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).