N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide

C22H19ClN4O2 — CID 30308346

IUPACN-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C22H19ClN4O2/c1-22(2,29-18-9-4-3-5-10-18)21(28)24-16-11-12-19-20(14-16)26-27(25-19)17-8-6-7-15(23)13-17/h3-14H,1-2H3,(H,24,28)
InChIKeyVRYWHLSVAOAXKQ-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.87
Rot. Bonds5

About N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide

N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide (PubChem CID 30308346) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
PubChem CID30308346
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C22H19ClN4O2/c1-22(2,29-18-9-4-3-5-10-18)21(28)24-16-11-12-19-20(14-16)26-27(25-19)17-8-6-7-15(23)13-17/h3-14H,1-2H3,(H,24,28)
InChIKeyVRYWHLSVAOAXKQ-UHFFFAOYSA-N
XLogP4.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-phenoxy-N-(2-phenylbenzotriazol-5-yl)propanamide
CID 30308315
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308320
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308402
4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315
2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide
CID 30308425
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
CID 3117301
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17110968
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide (CID 30308346) is N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide is CC(C)(Oc1ccccc1)C(=O)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1.
What is the InChIKey of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The InChIKey is VRYWHLSVAOAXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-22(2,29-18-9-4-3-5-10-18)21(28)24-16-11-12-19-20(14-16)26-27(25-19)17-8-6-7-15(23)13-17/h3-14H,1-2H3,(H,24,28).
What are the key properties of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide has a molecular weight of 406.87 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).