4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide

C23H19N5O3 — CID 56548127

IUPAC4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)cc2)n[nH]1
InChIInChI=1S/C23H19N5O3/c1-14-25-22(28-27-14)16-2-8-18(9-3-16)26-23(30)17-6-12-20(13-7-17)31-19-10-4-15(5-11-19)21(24)29/h2-13H,1H3,(H2,24,29)(H,26,30)(H,25,27,28)
InChIKeyNSRGXJMJWFRCCF-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.92
Rot. Bonds6

About 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide

4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide (PubChem CID 56548127) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide
PubChem CID56548127
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)cc2)n[nH]1
InChIInChI=1S/C23H19N5O3/c1-14-25-22(28-27-14)16-2-8-18(9-3-16)26-23(30)17-6-12-20(13-7-17)31-19-10-4-15(5-11-19)21(24)29/h2-13H,1H3,(H2,24,29)(H,26,30)(H,25,27,28)
InChIKeyNSRGXJMJWFRCCF-UHFFFAOYSA-N
XLogP3.92
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
5-methyl-3-(4-phenoxyphenyl)-1H-1,2,4-triazole
CID 44516316
2-[3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]amino]phenyl]acetic acid
CID 167853726
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
1-amino-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide
CID 119311512
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide (CID 56548127) is 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide is Cc1nc(-c2ccc(NC(=O)c3ccc(Oc4ccc(C(N)=O)cc4)cc3)cc2)n[nH]1.
What is the InChIKey of 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide?
The InChIKey is NSRGXJMJWFRCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-14-25-22(28-27-14)16-2-8-18(9-3-16)26-23(30)17-6-12-20(13-7-17)31-19-10-4-15(5-11-19)21(24)29/h2-13H,1H3,(H2,24,29)(H,26,30)(H,25,27,28).
What are the key properties of 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide?
4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide has a molecular weight of 413.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).