3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide

C15H18FN5O — CID 154799316

IUPAC3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)N1CC(NC(=O)c2ccc(-n3cncn3)c(F)c2)C1
InChIInChI=1S/C15H18FN5O/c1-10(2)20-6-12(7-20)19-15(22)11-3-4-14(13(16)5-11)21-9-17-8-18-21/h3-5,8-10,12H,6-7H2,1-2H3,(H,19,22)
InChIKeyUGKHJZCPDODNAR-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.23
Rot. Bonds4

About 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide

3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 154799316) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID154799316
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)N1CC(NC(=O)c2ccc(-n3cncn3)c(F)c2)C1
InChIInChI=1S/C15H18FN5O/c1-10(2)20-6-12(7-20)19-15(22)11-3-4-14(13(16)5-11)21-9-17-8-18-21/h3-5,8-10,12H,6-7H2,1-2H3,(H,19,22)
InChIKeyUGKHJZCPDODNAR-UHFFFAOYSA-N
XLogP1.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide (CID 154799316) is 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide is CC(C)N1CC(NC(=O)c2ccc(-n3cncn3)c(F)c2)C1.
What is the InChIKey of 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is UGKHJZCPDODNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-10(2)20-6-12(7-20)19-15(22)11-3-4-14(13(16)5-11)21-9-17-8-18-21/h3-5,8-10,12H,6-7H2,1-2H3,(H,19,22).
What are the key properties of 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide?
3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 303.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-propan-2-ylazetidin-3-yl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 154799316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).