N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide

C22H20N4O2 — CID 2889295

IUPACN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)cc1
InChIInChI=1S/C22H20N4O2/c1-14-4-6-16(7-5-14)22(27)23-19-13-21-20(12-15(19)2)24-26(25-21)17-8-10-18(28-3)11-9-17/h4-13H,1-3H3,(H,23,27)
InChIKeyAJWLWIZHZYLLAH-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.30
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide (PubChem CID 2889295) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
PubChem CID2889295
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
SMILESCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)cc1
InChIInChI=1S/C22H20N4O2/c1-14-4-6-16(7-5-14)22(27)23-19-13-21-20(12-15(19)2)24-26(25-21)17-8-10-18(28-3)11-9-17/h4-13H,1-3H3,(H,23,27)
InChIKeyAJWLWIZHZYLLAH-UHFFFAOYSA-N
XLogP4.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3,4-dimethylbenzamide
CID 1316133
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094105
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1365245
4-methoxy-N-[[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 17104704
2-chloro-5-iodo-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1345445
4-[(2R)-butan-2-yl]oxy-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 27235798
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-methoxybenzamide
CID 2206028
4-tert-butyl-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 15987529
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethylbenzamide
CID 19630185
N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 22779110

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide (CID 2889295) is N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide is COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide?
The InChIKey is AJWLWIZHZYLLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-4-6-16(7-5-14)22(27)23-19-13-21-20(12-15(19)2)24-26(25-21)17-8-10-18(28-3)11-9-17/h4-13H,1-3H3,(H,23,27).
What are the key properties of N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide?
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide has a molecular weight of 372.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 2889295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).