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

C23H21ClN4O2 — CID 30308402

IUPACN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
SMILESCc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)(C)Oc1ccccc1
InChIInChI=1S/C23H21ClN4O2/c1-15-13-20-21(27-28(26-20)17-11-9-16(24)10-12-17)14-19(15)25-22(29)23(2,3)30-18-7-5-4-6-8-18/h4-14H,1-3H3,(H,25,29)
InChIKeyVXWPPNXBCLRQQN-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.18
Rot. Bonds5

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

N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide (PubChem CID 30308402) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
PubChem CID30308402
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
SMILESCc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)(C)Oc1ccccc1
InChIInChI=1S/C23H21ClN4O2/c1-15-13-20-21(27-28(26-20)17-11-9-16(24)10-12-17)14-19(15)25-22(29)23(2,3)30-18-7-5-4-6-8-18/h4-14H,1-3H3,(H,25,29)
InChIKeyVXWPPNXBCLRQQN-UHFFFAOYSA-N
XLogP5.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]propanamide
CID 17111126
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365
N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308447
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
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
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-iodobenzamide
CID 1336482
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-(4-chlorophenoxy)-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 4517152
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-3,5-dimethylbenzamide
CID 19630185
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-phenoxyacetamide
CID 1004471
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide (CID 30308402) is N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide is Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(C)(C)Oc1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
The InChIKey is VXWPPNXBCLRQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-15-13-20-21(27-28(26-20)17-11-9-16(24)10-12-17)14-19(15)25-22(29)23(2,3)30-18-7-5-4-6-8-18/h4-14H,1-3H3,(H,25,29).
What are the key properties of N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide?
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide has a molecular weight of 420.90 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30308402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).