2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

C23H20N4O2 — CID 55608786

IUPAC2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C23H20N4O2/c1-17(29-22-13-7-19(8-14-22)18-5-3-2-4-6-18)23(28)26-20-9-11-21(12-10-20)27-16-24-15-25-27/h2-17H,1H3,(H,26,28)
InChIKeyBPWYGZMWKOVTKI-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.34
Rot. Bonds6

About 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 55608786) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID55608786
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C23H20N4O2/c1-17(29-22-13-7-19(8-14-22)18-5-3-2-4-6-18)23(28)26-20-9-11-21(12-10-20)27-16-24-15-25-27/h2-17H,1H3,(H,26,28)
InChIKeyBPWYGZMWKOVTKI-UHFFFAOYSA-N
XLogP4.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 134040349
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 94093464
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(4-phenylphenoxy)propanamide
CID 43915059
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-phenoxy-N-[4-[2-[4-(2-phenoxypropanoylamino)phenyl]pyrimidin-5-yl]phenyl]propanamide
CID 3884095
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 55608786) is 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is BPWYGZMWKOVTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17(29-22-13-7-19(8-14-22)18-5-3-2-4-6-18)23(28)26-20-9-11-21(12-10-20)27-16-24-15-25-27/h2-17H,1H3,(H,26,28).
What are the key properties of 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55608786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).