N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C16H12Cl2N4O2 — CID 4899863

IUPACN-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(Cl)c1)n1nnc2ccccc2c1=O
InChIInChI=1S/C16H12Cl2N4O2/c1-9(15(23)19-10-6-7-12(17)13(18)8-10)22-16(24)11-4-2-3-5-14(11)20-21-22/h2-9H,1H3,(H,19,23)
InChIKeyDYBOFHMLFIHSJR-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.30
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 4899863) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID4899863
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(Cl)c1)n1nnc2ccccc2c1=O
InChIInChI=1S/C16H12Cl2N4O2/c1-9(15(23)19-10-6-7-12(17)13(18)8-10)22-16(24)11-4-2-3-5-14(11)20-21-22/h2-9H,1H3,(H,19,23)
InChIKeyDYBOFHMLFIHSJR-UHFFFAOYSA-N
XLogP3.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(dimethylamino)phenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 7553409
(2R)-N-(1H-indol-6-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 95395002
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4912205
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4905448
(2S)-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 71829481
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 95395482
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
3-(3-oxobutan-2-yl)-1,2,3-benzotriazin-4-one
CID 170011258
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 97266945
(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 71829428
(2S)-N-(3-chlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 7596226
(2S)-N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 56761930

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 4899863) is N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is CC(C(=O)Nc1ccc(Cl)c(Cl)c1)n1nnc2ccccc2c1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is DYBOFHMLFIHSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c1-9(15(23)19-10-6-7-12(17)13(18)8-10)22-16(24)11-4-2-3-5-14(11)20-21-22/h2-9H,1H3,(H,19,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 363.20 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 4899863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).