N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide

C17H13ClN4O2 — CID 177088713

IUPACN-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide
SMILESO=C(Cn1nnc2c1-c1ccccc1OC2)Nc1cccc(Cl)c1
InChIInChI=1S/C17H13ClN4O2/c18-11-4-3-5-12(8-11)19-16(23)9-22-17-13-6-1-2-7-15(13)24-10-14(17)20-21-22/h1-8H,9-10H2,(H,19,23)
InChIKeyMOSLIZHQTMXNIP-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.13
Rot. Bonds3

About N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide

N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide (PubChem CID 177088713) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide
PubChem CID177088713
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC NameN-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide
SMILESO=C(Cn1nnc2c1-c1ccccc1OC2)Nc1cccc(Cl)c1
InChIInChI=1S/C17H13ClN4O2/c18-11-4-3-5-12(8-11)19-16(23)9-22-17-13-6-1-2-7-15(13)24-10-14(17)20-21-22/h1-8H,9-10H2,(H,19,23)
InChIKeyMOSLIZHQTMXNIP-UHFFFAOYSA-N
XLogP3.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide (CID 177088713) is N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide is O=C(Cn1nnc2c1-c1ccccc1OC2)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide?
The InChIKey is MOSLIZHQTMXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-11-4-3-5-12(8-11)19-16(23)9-22-17-13-6-1-2-7-15(13)24-10-14(17)20-21-22/h1-8H,9-10H2,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide?
N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide has a molecular weight of 340.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4H-chromeno[3,4-d]triazol-1-yl)acetamide is sourced from PubChem (CID 177088713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).