2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide

C21H23F2N5O2 — CID 49818763

IUPAC2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCC1=CC=C(C=C1)NC(=O)CN(C)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChIInChI=1S/C21H23F2N5O2/c1-15-3-6-17(7-4-15)26-20(29)10-27(2)11-21(30,12-28-14-24-13-25-28)18-8-5-16(22)9-19(18)23/h3-9,13-14,30H,10-12H2,1-2H3,(H,26,29)
InChIKeyCIECTFFLGVKMFK-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.10
Rot. Bonds8

About 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide

2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide (PubChem CID 49818763) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide
PubChem CID49818763
Molecular FormulaC21H23F2N5O2
Molecular Weight415.40 g/mol
Exact Mass415.18
IUPAC Name2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCC1=CC=C(C=C1)NC(=O)CN(C)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChIInChI=1S/C21H23F2N5O2/c1-15-3-6-17(7-4-15)26-20(29)10-27(2)11-21(30,12-28-14-24-13-25-28)18-8-5-16(22)9-19(18)23/h3-9,13-14,30H,10-12H2,1-2H3,(H,26,29)
InChIKeyCIECTFFLGVKMFK-UHFFFAOYSA-N
XLogP2.10
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity564

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperazin-1-yl]phenyl]ethanone
CID 16074060
4-[4-[2-(2,4-Difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]piperazin-1-yl]benzonitrile
CID 16074062
1-[4-(4-Tert-butylphenyl)piperazin-1-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 16074064
2-(2,4-Difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 44409793
1-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(1,2,4-triazol-1-yl)phenyl]imidazolidin-2-one
CID 483297
1-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(tetrazol-2-yl)phenyl]imidazolidin-2-one
CID 483300
1-[2-(2,4-Difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
CID 483301
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-3-[4-(tetrazol-1-yl)phenyl]imidazolidin-2-one
CID 484070
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(1,2,4-triazol-1-yl)phenyl]imidazolidin-2-one
CID 3002969
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-[4-(tetrazol-2-yl)phenyl]imidazolidin-2-one
CID 3002972
Tak 456
CID 3002973
2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-phenyl-acetamide
CID 49820680

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide (CID 49818763) is 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide is CC1=CC=C(C=C1)NC(=O)CN(C)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide?
The InChIKey is CIECTFFLGVKMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c1-15-3-6-17(7-4-15)26-20(29)10-27(2)11-21(30,12-28-14-24-13-25-28)18-8-5-16(22)9-19(18)23/h3-9,13-14,30H,10-12H2,1-2H3,(H,26,29).
What are the key properties of 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide?
2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide has a molecular weight of 415.40 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-methyl-amino]-N-(p-tolyl)acetamide is sourced from PubChem (CID 49818763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).