2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide

C23H20N4O2 — CID 4652479

IUPAC2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-17(29-21-10-6-3-7-11-21)23(28)25-19-12-14-20(15-13-19)27-22(16-24-26-27)18-8-4-2-5-9-18/h2-17H,1H3,(H,25,28)
InChIKeyGIHCYUNNNHPTRH-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.34
Rot. Bonds6

About 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide

2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide (PubChem CID 4652479) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide
PubChem CID4652479
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c1-17(29-21-10-6-3-7-11-21)23(28)25-19-12-14-20(15-13-19)27-22(16-24-26-27)18-8-4-2-5-9-18/h2-17H,1H3,(H,25,28)
InChIKeyGIHCYUNNNHPTRH-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

3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 3288452
(2E)-3-(3,4-Dimethoxyphenyl)-N-[4-(5-phenyl-1H-1,2,3-triazol-1-YL)phenyl]prop-2-enamide
CID 5841200
N-(2-phenoxyphenyl)-7-(4-pyridin-3-yltriazol-1-yl)heptanamide
CID 44819875
N-(2-phenoxyphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44819876
N-(2-phenoxyphenyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
CID 44819877
4-[3-(4-Phenyltriazol-1-yl)propyl]-1,4-benzoxazin-3-one
CID 118723994
N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2-phenoxyacetamide
CID 1224540
2-ethoxy-N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]benzamide
CID 3630643
2,6-difluoro-N-{4-[5-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}benzamide
CID 4227880
4-[3-[4-(4-Methylphenyl)triazol-1-yl]propyl]-1,4-benzoxazin-3-one
CID 118723995
4-[3-[4-(4-Pentylphenyl)triazol-1-yl]propyl]-1,4-benzoxazin-3-one
CID 118723996
4-[(1-Benzyltriazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 164616922

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide (CID 4652479) is 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(-n2nncc2-c2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide?
The InChIKey is GIHCYUNNNHPTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17(29-21-10-6-3-7-11-21)23(28)25-19-12-14-20(15-13-19)27-22(16-24-26-27)18-8-4-2-5-9-18/h2-17H,1H3,(H,25,28).
What are the key properties of 2-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide?
2-phenoxy-N-[4-(5-phenyltriazol-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-phenoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 4652479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).