N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C16H13ClN4O2 — CID 3341369

IUPACN-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O2/c17-12-7-5-11(6-8-12)9-18-15(22)10-21-16(23)13-3-1-2-4-14(13)19-20-21/h1-8H,9-10H2,(H,18,22)
InChIKeyKDUYAAXCFNHEKY-UHFFFAOYSA-N
MW328.76 g/mol
LogP1.76
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 3341369) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID3341369
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O2/c17-12-7-5-11(6-8-12)9-18-15(22)10-21-16(23)13-3-1-2-4-14(13)19-20-21/h1-8H,9-10H2,(H,18,22)
InChIKeyKDUYAAXCFNHEKY-UHFFFAOYSA-N
XLogP1.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 3341369) is N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is KDUYAAXCFNHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-7-5-11(6-8-12)9-18-15(22)10-21-16(23)13-3-1-2-4-14(13)19-20-21/h1-8H,9-10H2,(H,18,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 328.76 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 3341369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).