N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide

C16H14Cl2N4O — CID 56683577

IUPACN-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2nn(-c3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C16H14Cl2N4O/c1-9(2)16(23)19-10-3-6-14-15(7-10)21-22(20-14)11-4-5-12(17)13(18)8-11/h3-9H,1-2H3,(H,19,23)
InChIKeyVLFQFOKIAIQBAF-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.32
Rot. Bonds3

About N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide

N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide (PubChem CID 56683577) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
PubChem CID56683577
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC NameN-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2nn(-c3ccc(Cl)c(Cl)c3)nc2c1
InChIInChI=1S/C16H14Cl2N4O/c1-9(2)16(23)19-10-3-6-14-15(7-10)21-22(20-14)11-4-5-12(17)13(18)8-11/h3-9H,1-2H3,(H,19,23)
InChIKeyVLFQFOKIAIQBAF-UHFFFAOYSA-N
XLogP4.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
CID 648531
N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 652622
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2,2-dimethylpropanamide
CID 960954
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-3-methylbutanamide
CID 960956
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]acetamide
CID 1348154
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864
N-[2-(4-chlorophenyl)benzotriazol-5-yl]acetamide
CID 56683400
2,2-dimethyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2996615

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide (CID 56683577) is N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2nn(-c3ccc(Cl)c(Cl)c3)nc2c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide?
The InChIKey is VLFQFOKIAIQBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-9(2)16(23)19-10-3-6-14-15(7-10)21-22(20-14)11-4-5-12(17)13(18)8-11/h3-9H,1-2H3,(H,19,23).
What are the key properties of N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide?
N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide has a molecular weight of 349.22 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 56683577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).