N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide

C17H19FN4O — CID 75524132

IUPACN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C17H19FN4O/c1-10-8-12(18)4-7-14(10)17(23)19-9-15-20-21-16(11-2-3-11)22(15)13-5-6-13/h4,7-8,11,13H,2-3,5-6,9H2,1H3,(H,19,23)
InChIKeyMQHVZDKSDVTLFM-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.87
Rot. Bonds5

About N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide (PubChem CID 75524132) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
PubChem CID75524132
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C17H19FN4O/c1-10-8-12(18)4-7-14(10)17(23)19-9-15-20-21-16(11-2-3-11)22(15)13-5-6-13/h4,7-8,11,13H,2-3,5-6,9H2,1H3,(H,19,23)
InChIKeyMQHVZDKSDVTLFM-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide (CID 75524132) is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide?
The InChIKey is MQHVZDKSDVTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-10-8-12(18)4-7-14(10)17(23)19-9-15-20-21-16(11-2-3-11)22(15)13-5-6-13/h4,7-8,11,13H,2-3,5-6,9H2,1H3,(H,19,23).
What are the key properties of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide?
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 75524132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).