3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

C15H14F3N5O2 — CID 137462664

IUPAC3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1C(=O)C1CC1
InChIInChI=1S/C15H14F3N5O2/c1-7-9(13(25)19-14-20-21-22-23(14)2)5-6-10(15(16,17)18)11(7)12(24)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,19,20,22,25)
InChIKeyHOZKUMBRXYPNNA-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.38
Rot. Bonds4

About 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide

3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 137462664) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID137462664
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1C(=O)C1CC1
InChIInChI=1S/C15H14F3N5O2/c1-7-9(13(25)19-14-20-21-22-23(14)2)5-6-10(15(16,17)18)11(7)12(24)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,19,20,22,25)
InChIKeyHOZKUMBRXYPNNA-UHFFFAOYSA-N
XLogP2.38
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide (CID 137462664) is 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is Cc1c(C(=O)Nc2nnnn2C)ccc(C(F)(F)F)c1C(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is HOZKUMBRXYPNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-7-9(13(25)19-14-20-21-22-23(14)2)5-6-10(15(16,17)18)11(7)12(24)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,19,20,22,25).
What are the key properties of 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide?
3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 353.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 137462664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).