3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide

C14H17ClN4O — CID 100689587

IUPAC3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1nc(C(C)C)nn1C
InChIInChI=1S/C14H17ClN4O/c1-8(2)12-16-14(19(4)18-12)17-13(20)10-6-5-7-11(15)9(10)3/h5-8H,1-4H3,(H,16,17,18,20)
InChIKeyGRRJUPLXTLCYIS-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.15
Rot. Bonds3

About 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide

3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide (PubChem CID 100689587) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide
PubChem CID100689587
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1nc(C(C)C)nn1C
InChIInChI=1S/C14H17ClN4O/c1-8(2)12-16-14(19(4)18-12)17-13(20)10-6-5-7-11(15)9(10)3/h5-8H,1-4H3,(H,16,17,18,20)
InChIKeyGRRJUPLXTLCYIS-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide (CID 100689587) is 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide is Cc1c(Cl)cccc1C(=O)Nc1nc(C(C)C)nn1C.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is GRRJUPLXTLCYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8(2)12-16-14(19(4)18-12)17-13(20)10-6-5-7-11(15)9(10)3/h5-8H,1-4H3,(H,16,17,18,20).
What are the key properties of 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide?
3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 292.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 100689587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).