2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide

C22H18Cl2N4O2 — CID 30308365

IUPAC2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C22H18Cl2N4O2/c1-22(2,30-18-10-5-15(24)6-11-18)21(29)25-16-7-12-19-20(13-16)27-28(26-19)17-8-3-14(23)4-9-17/h3-13H,1-2H3,(H,25,29)
InChIKeyJXCJDWDUQWDETD-UHFFFAOYSA-N
MW441.32 g/mol
LogP5.52
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide (PubChem CID 30308365) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
PubChem CID30308365
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C22H18Cl2N4O2/c1-22(2,30-18-10-5-15(24)6-11-18)21(29)25-16-7-12-19-20(13-16)27-28(26-19)17-8-3-14(23)4-9-17/h3-13H,1-2H3,(H,25,29)
InChIKeyJXCJDWDUQWDETD-UHFFFAOYSA-N
XLogP5.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.32
LogP ≤ 55.52
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-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide
CID 30308425
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308320
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308402
2-(4-chlorophenoxy)-2-methyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]propanamide
CID 17111126
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 17219787
N-(2-amino-1,3-benzothiazol-6-yl)-2-(4-chlorophenoxy)-2-methylpropanamide
CID 91680717
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17110968
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 1256741

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide (CID 30308365) is 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide?
The InChIKey is JXCJDWDUQWDETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-22(2,30-18-10-5-15(24)6-11-18)21(29)25-16-7-12-19-20(13-16)27-28(26-19)17-8-3-14(23)4-9-17/h3-13H,1-2H3,(H,25,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide has a molecular weight of 441.32 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 30308365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).