N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C14H13F3N4O — CID 138017727

IUPACN-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCN(C(=O)c1ccc(-n2ccnn2)cc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C14H13F3N4O/c1-20(13(6-7-13)14(15,16)17)12(22)10-2-4-11(5-3-10)21-9-8-18-19-21/h2-5,8-9H,6-7H2,1H3
InChIKeyLANQAOOILOTOJI-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.43
Rot. Bonds3

About N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide

N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 138017727) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID138017727
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC NameN-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCN(C(=O)c1ccc(-n2ccnn2)cc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C14H13F3N4O/c1-20(13(6-7-13)14(15,16)17)12(22)10-2-4-11(5-3-10)21-9-8-18-19-21/h2-5,8-9H,6-7H2,1H3
InChIKeyLANQAOOILOTOJI-UHFFFAOYSA-N
XLogP2.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 138017727) is N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide is CN(C(=O)c1ccc(-n2ccnn2)cc1)C1(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is LANQAOOILOTOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-20(13(6-7-13)14(15,16)17)12(22)10-2-4-11(5-3-10)21-9-8-18-19-21/h2-5,8-9H,6-7H2,1H3.
What are the key properties of N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 310.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(triazol-1-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 138017727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).