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

C16H16F3N5O2 — CID 137462638

IUPAC3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C(=O)C2CC2)c1C
InChIInChI=1S/C16H16F3N5O2/c1-3-24-15(21-22-23-24)20-14(26)10-6-7-11(16(17,18)19)12(8(10)2)13(25)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,20,21,23,26)
InChIKeyVYSNCTLMIQPRQT-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.87
Rot. Bonds5

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

3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide (PubChem CID 137462638) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide
PubChem CID137462638
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide
SMILESCCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C(=O)C2CC2)c1C
InChIInChI=1S/C16H16F3N5O2/c1-3-24-15(21-22-23-24)20-14(26)10-6-7-11(16(17,18)19)12(8(10)2)13(25)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,20,21,23,26)
InChIKeyVYSNCTLMIQPRQT-UHFFFAOYSA-N
XLogP2.87
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 3841424
CID 3841424
CID 121418999
CID 121418999
CID 121419000
CID 121419000
CID 137462664
CID 137462664
CID 137462685
CID 137462685
CID 137463068
CID 137463068
CID 147229389
CID 147229389
CID 154466734
CID 154466734
CID 154996578
CID 154996578
CID 157209842
CID 157209842
CID 159105174
CID 159105174
CID 160422462
CID 160422462

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide (CID 137462638) is 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide is CCn1nnnc1NC(=O)c1ccc(C(F)(F)F)c(C(=O)C2CC2)c1C.
What is the InChIKey of 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is VYSNCTLMIQPRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-3-24-15(21-22-23-24)20-14(26)10-6-7-11(16(17,18)19)12(8(10)2)13(25)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,20,21,23,26).
What are the key properties of 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide?
3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 367.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonyl)-N-(1-ethyltetrazol-5-yl)-2-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 137462638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).