2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide

C20H15ClN4O — CID 15991118

IUPAC2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C20H15ClN4O/c21-15-8-6-14(7-9-15)12-20(26)22-16-10-11-18-19(13-16)24-25(23-18)17-4-2-1-3-5-17/h1-11,13H,12H2,(H,22,26)
InChIKeyKVTHDEKPOWYYQH-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.26
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide

2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide (PubChem CID 15991118) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide
PubChem CID15991118
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C20H15ClN4O/c21-15-8-6-14(7-9-15)12-20(26)22-16-10-11-18-19(13-16)24-25(23-18)17-4-2-1-3-5-17/h1-11,13H,12H2,(H,22,26)
InChIKeyKVTHDEKPOWYYQH-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide (CID 15991118) is 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide?
The InChIKey is KVTHDEKPOWYYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c21-15-8-6-14(7-9-15)12-20(26)22-16-10-11-18-19(13-16)24-25(23-18)17-4-2-1-3-5-17/h1-11,13H,12H2,(H,22,26).
What are the key properties of 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide?
2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide has a molecular weight of 362.82 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 15991118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).