4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide

C20H17N5O2 — CID 67477028

IUPAC4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide
SMILESCc1cccc(Nc2cc(On3nnc4ccccc43)ccc2C(N)=O)c1
InChIInChI=1S/C20H17N5O2/c1-13-5-4-6-14(11-13)22-18-12-15(9-10-16(18)20(21)26)27-25-19-8-3-2-7-17(19)23-24-25/h2-12,22H,1H3,(H2,21,26)
InChIKeyUOVZSJRRDXMCJJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.42
Rot. Bonds5

About 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide

4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide (PubChem CID 67477028) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide
PubChem CID67477028
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide
SMILESCc1cccc(Nc2cc(On3nnc4ccccc43)ccc2C(N)=O)c1
InChIInChI=1S/C20H17N5O2/c1-13-5-4-6-14(11-13)22-18-12-15(9-10-16(18)20(21)26)27-25-19-8-3-2-7-17(19)23-24-25/h2-12,22H,1H3,(H2,21,26)
InChIKeyUOVZSJRRDXMCJJ-UHFFFAOYSA-N
XLogP3.42
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide?
The IUPAC name of 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide (CID 67477028) is 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide.
What is the SMILES notation for 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide?
The canonical SMILES for 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide is Cc1cccc(Nc2cc(On3nnc4ccccc43)ccc2C(N)=O)c1.
What is the InChIKey of 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide?
The InChIKey is UOVZSJRRDXMCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-5-4-6-14(11-13)22-18-12-15(9-10-16(18)20(21)26)27-25-19-8-3-2-7-17(19)23-24-25/h2-12,22H,1H3,(H2,21,26).
What are the key properties of 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide?
4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yloxy)-2-(3-methylanilino)benzamide is sourced from PubChem (CID 67477028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).