N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide

C16H19F3N4O2 — CID 125165323

IUPACN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C16H19F3N4O2/c1-10-4-5-12(16(17,18)19)8-13(10)15(24)21-11(2)14-22-20-9-23(14)6-7-25-3/h4-5,8-9,11H,6-7H2,1-3H3,(H,21,24)/t11-/m0/s1
InChIKeyHJBGLNIJHVBJKK-NSHDSACASA-N
MW356.35 g/mol
LogP2.74
Rot. Bonds6

About N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide

N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide (PubChem CID 125165323) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
PubChem CID125165323
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC NameN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C16H19F3N4O2/c1-10-4-5-12(16(17,18)19)8-13(10)15(24)21-11(2)14-22-20-9-23(14)6-7-25-3/h4-5,8-9,11H,6-7H2,1-3H3,(H,21,24)/t11-/m0/s1
InChIKeyHJBGLNIJHVBJKK-NSHDSACASA-N
XLogP2.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
1-(difluoromethyl)-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methylpyrazole-3-carboxamide
CID 156584689
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99958080
5-ethyl-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178759
5-ethyl-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178761
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
CID 125170254
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70767304
3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563
3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 125166274

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide (CID 125165323) is N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide is COCCn1cnnc1[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is HJBGLNIJHVBJKK-NSHDSACASA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-10-4-5-12(16(17,18)19)8-13(10)15(24)21-11(2)14-22-20-9-23(14)6-7-25-3/h4-5,8-9,11H,6-7H2,1-3H3,(H,21,24)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide?
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 356.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 125165323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).