N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide

C17H17ClN4O — CID 960954

IUPACN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C17H17ClN4O/c1-17(2,3)16(23)19-13-10-15-14(9-12(13)18)20-22(21-15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,23)
InChIKeyIYVAHKSWZJLZKP-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.06
Rot. Bonds2

About N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide

N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide (PubChem CID 960954) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide
PubChem CID960954
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C17H17ClN4O/c1-17(2,3)16(23)19-13-10-15-14(9-12(13)18)20-22(21-15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,23)
InChIKeyIYVAHKSWZJLZKP-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.06
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)-3-methylbutanamide
CID 960956
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
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
N-[2-(3,4-dichlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 56683577

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide (CID 960954) is N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl.
What is the InChIKey of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide?
The InChIKey is IYVAHKSWZJLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-17(2,3)16(23)19-13-10-15-14(9-12(13)18)20-22(21-15)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,19,23).
What are the key properties of N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide?
N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide has a molecular weight of 328.80 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-phenylbenzotriazol-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 960954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).