2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide

C24H24BrN5O2 — CID 30308425

IUPAC2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide
SMILESCN(C)c1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1
InChIInChI=1S/C24H24BrN5O2/c1-24(2,32-20-12-5-16(25)6-13-20)23(31)26-17-7-14-21-22(15-17)28-30(27-21)19-10-8-18(9-11-19)29(3)4/h5-15H,1-4H3,(H,26,31)
InChIKeyUTHUJEAZGKPNJK-UHFFFAOYSA-N
MW494.39 g/mol
LogP5.05
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide

2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide (PubChem CID 30308425) has the molecular formula C24H24BrN5O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide
PubChem CID30308425
Molecular FormulaC24H24BrN5O2
Molecular Weight494.39 g/mol
Exact Mass493.11
IUPAC Name2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide
SMILESCN(C)c1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1
InChIInChI=1S/C24H24BrN5O2/c1-24(2,32-20-12-5-16(25)6-13-20)23(31)26-17-7-14-21-22(15-17)28-30(27-21)19-10-8-18(9-11-19)29(3)4/h5-15H,1-4H3,(H,26,31)
InChIKeyUTHUJEAZGKPNJK-UHFFFAOYSA-N
XLogP5.05
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 30308365
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291
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-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
CID 1215874
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
CID 1216166
2-(4-bromophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 17098762
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
2-(4-bromophenoxy)-2-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17313544
2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide
CID 9204506
2-(4-bromophenoxy)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 43902670

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide (CID 30308425) is 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide is CN(C)c1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Br)cc4)cc3n2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide?
The InChIKey is UTHUJEAZGKPNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O2/c1-24(2,32-20-12-5-16(25)6-13-20)23(31)26-17-7-14-21-22(15-17)28-30(27-21)19-10-8-18(9-11-19)29(3)4/h5-15H,1-4H3,(H,26,31).
What are the key properties of 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide?
2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide has a molecular weight of 494.39 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 30308425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).