propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate

C25H21FN4O3 — CID 16652359

IUPACpropyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H21FN4O3/c1-2-15-33-25(32)19-5-11-21(12-6-19)28-24(31)18-7-13-22(14-8-18)30-23(16-27-29-30)17-3-9-20(26)10-4-17/h3-14,16H,2,15H2,1H3,(H,28,31)
InChIKeyZUCPNFFLTDRJAO-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.89
Rot. Bonds7

About propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate

propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate (PubChem CID 16652359) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
PubChem CID16652359
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC Namepropyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H21FN4O3/c1-2-15-33-25(32)19-5-11-21(12-6-19)28-24(31)18-7-13-22(14-8-18)30-23(16-27-29-30)17-3-9-20(26)10-4-17/h3-14,16H,2,15H2,1H3,(H,28,31)
InChIKeyZUCPNFFLTDRJAO-UHFFFAOYSA-N
XLogP4.89
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[4-[5-(4-methoxyphenyl)triazol-1-yl]phenyl]benzamide
CID 4172115
N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652313
propyl 4-[5-(4-sulfamoylphenyl)triazol-1-yl]benzoate
CID 11326630
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
N-[4-[5-(4-bromophenyl)triazol-1-yl]phenyl]-3,4,5-triethoxybenzamide
CID 5179506
N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652343
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
CID 16652390
butyl 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 46920237

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate?
The IUPAC name of propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate (CID 16652359) is propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate?
The canonical SMILES for propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate?
The InChIKey is ZUCPNFFLTDRJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c1-2-15-33-25(32)19-5-11-21(12-6-19)28-24(31)18-7-13-22(14-8-18)30-23(16-27-29-30)17-3-9-20(26)10-4-17/h3-14,16H,2,15H2,1H3,(H,28,31).
What are the key properties of propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate?
propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate has a molecular weight of 444.47 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[4-[5-(4-fluorophenyl)triazol-1-yl]benzoyl]amino]benzoate is sourced from PubChem (CID 16652359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).