4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide

C12H13F2N5O — CID 160895407

IUPAC4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCc1c(C(=O)Nc2nnnn2C)ccc(C(F)F)c1C
InChIInChI=1S/C12H13F2N5O/c1-6-7(2)9(5-4-8(6)10(13)14)11(20)15-12-16-17-18-19(12)3/h4-5,10H,1-3H3,(H,15,16,18,20)
InChIKeySOUQJOWAXXQGBI-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.02
Rot. Bonds3

About 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide

4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide (PubChem CID 160895407) has the molecular formula C12H13F2N5O and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide
PubChem CID160895407
Molecular FormulaC12H13F2N5O
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide
SMILESCc1c(C(=O)Nc2nnnn2C)ccc(C(F)F)c1C
InChIInChI=1S/C12H13F2N5O/c1-6-7(2)9(5-4-8(6)10(13)14)11(20)15-12-16-17-18-19(12)3/h4-5,10H,1-3H3,(H,15,16,18,20)
InChIKeySOUQJOWAXXQGBI-UHFFFAOYSA-N
XLogP2.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide?
The IUPAC name of 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide (CID 160895407) is 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide is Cc1c(C(=O)Nc2nnnn2C)ccc(C(F)F)c1C.
What is the InChIKey of 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide?
The InChIKey is SOUQJOWAXXQGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O/c1-6-7(2)9(5-4-8(6)10(13)14)11(20)15-12-16-17-18-19(12)3/h4-5,10H,1-3H3,(H,15,16,18,20).
What are the key properties of 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide?
4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide has a molecular weight of 281.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,3-dimethyl-N-(1-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 160895407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).