3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide

C21H23FN4O2 — CID 125178271

IUPAC3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1cccc(OCc2cccc(F)c2)c1)c1ncnn1C
InChIInChI=1S/C21H23FN4O2/c1-14(2)19(20-23-13-24-26(20)3)25-21(27)16-7-5-9-18(11-16)28-12-15-6-4-8-17(22)10-15/h4-11,13-14,19H,12H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKeyUZRJJVZWFMDLTL-LJQANCHMSA-N
MW382.44 g/mol
LogP3.66
Rot. Bonds7

About 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide

3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide (PubChem CID 125178271) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
PubChem CID125178271
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1cccc(OCc2cccc(F)c2)c1)c1ncnn1C
InChIInChI=1S/C21H23FN4O2/c1-14(2)19(20-23-13-24-26(20)3)25-21(27)16-7-5-9-18(11-16)28-12-15-6-4-8-17(22)10-15/h4-11,13-14,19H,12H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKeyUZRJJVZWFMDLTL-LJQANCHMSA-N
XLogP3.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide with MolForge

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Related Compounds

3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 126440387
5-fluoro-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442541
N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-[(3-fluorophenoxy)methyl]benzamide
CID 96547643
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
methyl 4-[3-[[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxylate
CID 125447777
3-[(3-fluorophenoxy)methyl]-N-[2-(methylamino)propyl]benzamide
CID 120832621
4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 139007024
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3,5,5-trimethylhexan-1-one
CID 146006669
2,3-dibromo-1-[3-[(3-fluorophenyl)methoxy]phenyl]propan-1-one
CID 146006635
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide (CID 125178271) is 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide is CC(C)[C@@H](NC(=O)c1cccc(OCc2cccc(F)c2)c1)c1ncnn1C.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The InChIKey is UZRJJVZWFMDLTL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14(2)19(20-23-13-24-26(20)3)25-21(27)16-7-5-9-18(11-16)28-12-15-6-4-8-17(22)10-15/h4-11,13-14,19H,12H2,1-3H3,(H,25,27)/t19-/m1/s1.
What are the key properties of 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide has a molecular weight of 382.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide is sourced from PubChem (CID 125178271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).