2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide

C16H21FN6O2 — CID 118765620

IUPAC2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide
SMILESCCCn1ncnc1C(C)NC(=O)Nc1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C16H21FN6O2/c1-4-7-23-14(19-9-20-23)10(2)21-16(25)22-11-5-6-13(17)12(8-11)15(24)18-3/h5-6,8-10H,4,7H2,1-3H3,(H,18,24)(H2,21,22,25)
InChIKeyZVFATMKYGROXTR-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.07
Rot. Bonds6

About 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide

2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide (PubChem CID 118765620) has the molecular formula C16H21FN6O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide
PubChem CID118765620
Molecular FormulaC16H21FN6O2
Molecular Weight348.38 g/mol
Exact Mass348.17
IUPAC Name2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide
SMILESCCCn1ncnc1C(C)NC(=O)Nc1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C16H21FN6O2/c1-4-7-23-14(19-9-20-23)10(2)21-16(25)22-11-5-6-13(17)12(8-11)15(24)18-3/h5-6,8-10H,4,7H2,1-3H3,(H,18,24)(H2,21,22,25)
InChIKeyZVFATMKYGROXTR-UHFFFAOYSA-N
XLogP2.07
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide (CID 118765620) is 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide is CCCn1ncnc1C(C)NC(=O)Nc1ccc(F)c(C(=O)NC)c1.
What is the InChIKey of 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide?
The InChIKey is ZVFATMKYGROXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O2/c1-4-7-23-14(19-9-20-23)10(2)21-16(25)22-11-5-6-13(17)12(8-11)15(24)18-3/h5-6,8-10H,4,7H2,1-3H3,(H,18,24)(H2,21,22,25).
What are the key properties of 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide?
2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide has a molecular weight of 348.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-[1-(2-propyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]benzamide is sourced from PubChem (CID 118765620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).