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

C21H18N4O2 — CID 1102702

IUPACN-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14-5-3-4-6-18(14)21(26)22-15-7-12-19-20(13-15)24-25(23-19)16-8-10-17(27-2)11-9-16/h3-13H,1-2H3,(H,22,26)
InChIKeyDPQWLAIOFVGALU-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.99
Rot. Bonds4

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

N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide (PubChem CID 1102702) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
PubChem CID1102702
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)cc1
InChIInChI=1S/C21H18N4O2/c1-14-5-3-4-6-18(14)21(26)22-15-7-12-19-20(13-15)24-25(23-19)16-8-10-17(27-2)11-9-16/h3-13H,1-2H3,(H,22,26)
InChIKeyDPQWLAIOFVGALU-UHFFFAOYSA-N
XLogP3.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
CID 1216166
2-methoxy-3-methyl-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 4244782
2-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-5-nitrobenzamide
CID 5217163
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
5-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 3563784
N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2411846
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide (CID 1102702) is N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide is COc1ccc(-n2nc3ccc(NC(=O)c4ccccc4C)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide?
The InChIKey is DPQWLAIOFVGALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-5-3-4-6-18(14)21(26)22-15-7-12-19-20(13-15)24-25(23-19)16-8-10-17(27-2)11-9-16/h3-13H,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide?
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.99, 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)benzotriazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 1102702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).