N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide

C17H17ClN4O — CID 738267

IUPACN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
SMILESCc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)C
InChIInChI=1S/C17H17ClN4O/c1-10(2)17(23)19-14-9-16-15(8-11(14)3)20-22(21-16)13-6-4-12(18)5-7-13/h4-10H,1-3H3,(H,19,23)
InChIKeyXCNCDFVUGCPIIO-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.98
Rot. Bonds3

About N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide

N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide (PubChem CID 738267) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
PubChem CID738267
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC NameN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
SMILESCc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)C
InChIInChI=1S/C17H17ClN4O/c1-10(2)17(23)19-14-9-16-15(8-11(14)3)20-22(21-16)13-6-4-12(18)5-7-13/h4-10H,1-3H3,(H,19,23)
InChIKeyXCNCDFVUGCPIIO-UHFFFAOYSA-N
XLogP3.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide (CID 738267) is N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide is Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)C.
What is the InChIKey of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide?
The InChIKey is XCNCDFVUGCPIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10(2)17(23)19-14-9-16-15(8-11(14)3)20-22(21-16)13-6-4-12(18)5-7-13/h4-10H,1-3H3,(H,19,23).
What are the key properties of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide?
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide has a molecular weight of 328.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 738267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).