N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide

C19H20N4O2 — CID 129359778

IUPACN-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-3-13(2)20-18(24)15-10-8-14(9-11-15)12-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-11,13H,3,12H2,1-2H3,(H,20,24)/t13-/m1/s1
InChIKeyDOROEQQUIMCUAT-CYBMUJFWSA-N
MW336.40 g/mol
LogP2.37
Rot. Bonds5

About N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide

N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide (PubChem CID 129359778) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
PubChem CID129359778
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C19H20N4O2/c1-3-13(2)20-18(24)15-10-8-14(9-11-15)12-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-11,13H,3,12H2,1-2H3,(H,20,24)/t13-/m1/s1
InChIKeyDOROEQQUIMCUAT-CYBMUJFWSA-N
XLogP2.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 23770253
4-(benzotriazol-1-ylmethyl)-N-[(2S)-5-methylhexan-2-yl]benzamide
CID 51883561
N-[(2S)-butan-2-yl]-4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 92869667
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 22589914
N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]propanamide
CID 92587836
methyl 3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzoate
CID 1266769
N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide
CID 9323479
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 4040828
N-[(2S)-5-methylhexan-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879393
N-(5-methylhexan-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78812534
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
2-(4-fluorophenyl)-N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]acetamide
CID 95791852

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide (CID 129359778) is N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide is CC[C@@H](C)NC(=O)c1ccc(Cn2nnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide?
The InChIKey is DOROEQQUIMCUAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-13(2)20-18(24)15-10-8-14(9-11-15)12-23-19(25)16-6-4-5-7-17(16)21-22-23/h4-11,13H,3,12H2,1-2H3,(H,20,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide?
N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide is sourced from PubChem (CID 129359778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).