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

C15H17FN4O — CID 75505076

IUPACN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCc1nnc(C)n1C1CC1
InChIInChI=1S/C15H17FN4O/c1-9-7-11(16)3-6-13(9)15(21)17-8-14-19-18-10(2)20(14)12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,17,21)
InChIKeySFPCZKAHDAHWNQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.30
Rot. Bonds4

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

N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide (PubChem CID 75505076) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
PubChem CID75505076
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCc1nnc(C)n1C1CC1
InChIInChI=1S/C15H17FN4O/c1-9-7-11(16)3-6-13(9)15(21)17-8-14-19-18-10(2)20(14)12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,17,21)
InChIKeySFPCZKAHDAHWNQ-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide (CID 75505076) is N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCc1nnc(C)n1C1CC1.
What is the InChIKey of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide?
The InChIKey is SFPCZKAHDAHWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9-7-11(16)3-6-13(9)15(21)17-8-14-19-18-10(2)20(14)12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,17,21).
What are the key properties of N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide?
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide has a molecular weight of 288.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 75505076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).