carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide

C17H14N4O4 — CID 176545527

IUPACcarbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1.O=C=O
InChIInChI=1S/C16H14N4O2.CO2/c1-11(21)18-14-6-2-12(3-7-14)13-4-8-15(9-5-13)22-16-10-17-20-19-16;2-1-3/h2-10H,1H3,(H,18,21)(H,17,19,20);
InChIKeyKAKMOZFRNBJKAI-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.64
Rot. Bonds4

About carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide

carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide (PubChem CID 176545527) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide.

Molecular Properties

Compound Namecarbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide
PubChem CID176545527
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Namecarbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1.O=C=O
InChIInChI=1S/C16H14N4O2.CO2/c1-11(21)18-14-6-2-12(3-7-14)13-4-8-15(9-5-13)22-16-10-17-20-19-16;2-1-3/h2-10H,1H3,(H,18,21)(H,17,19,20);
InChIKeyKAKMOZFRNBJKAI-UHFFFAOYSA-N
XLogP2.64
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

carbon dioxide;4-(4-naphthalen-2-ylphenoxy)-2H-triazole
CID 176530149
N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
CID 5065684
4-[4-(3-fluoro-4-methylphenyl)phenoxy]-2H-triazole
CID 160789588
N-(4-quinoxalin-2-yloxyphenyl)acetamide
CID 1473207
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
4-[4-(2-methylpropyl)phenoxy]-2H-triazole
CID 155653535
carbon dioxide;4-[[4-(4-methylphenyl)phenyl]methoxy]-2H-triazole
CID 176536935
N-[4-[(5,6-diamino-2-pyridinyl)oxy]phenyl]acetamide
CID 110178603
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-(4-phenylphenyl)acetamide
CID 19998

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide?
The IUPAC name of carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide (CID 176545527) is carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide.
What is the SMILES notation for carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide?
The canonical SMILES for carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(Oc3cn[nH]n3)cc2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide?
The InChIKey is KAKMOZFRNBJKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2.CO2/c1-11(21)18-14-6-2-12(3-7-14)13-4-8-15(9-5-13)22-16-10-17-20-19-16;2-1-3/h2-10H,1H3,(H,18,21)(H,17,19,20);.
What are the key properties of carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide?
carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide has a molecular weight of 338.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-[4-[4-(2H-triazol-4-yloxy)phenyl]phenyl]acetamide is sourced from PubChem (CID 176545527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).