4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide

C16H21FN4O — CID 56757462

IUPAC4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
SMILESCc1cc(C(=O)NC(CC(C)C)c2ncnn2C)ccc1F
InChIInChI=1S/C16H21FN4O/c1-10(2)7-14(15-18-9-19-21(15)4)20-16(22)12-5-6-13(17)11(3)8-12/h5-6,8-10,14H,7H2,1-4H3,(H,20,22)
InChIKeyDHADCBMRMPTEDG-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.78
Rot. Bonds5

About 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide

4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide (PubChem CID 56757462) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
PubChem CID56757462
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
SMILESCc1cc(C(=O)NC(CC(C)C)c2ncnn2C)ccc1F
InChIInChI=1S/C16H21FN4O/c1-10(2)7-14(15-18-9-19-21(15)4)20-16(22)12-5-6-13(17)11(3)8-12/h5-6,8-10,14H,7H2,1-4H3,(H,20,22)
InChIKeyDHADCBMRMPTEDG-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide (CID 56757462) is 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide is Cc1cc(C(=O)NC(CC(C)C)c2ncnn2C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide?
The InChIKey is DHADCBMRMPTEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-10(2)7-14(15-18-9-19-21(15)4)20-16(22)12-5-6-13(17)11(3)8-12/h5-6,8-10,14H,7H2,1-4H3,(H,20,22).
What are the key properties of 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide?
4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide has a molecular weight of 304.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide is sourced from PubChem (CID 56757462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).