5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide

C26H21BrN4O — CID 17220107

IUPAC5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide
SMILESCC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3n2)cc1
InChIInChI=1S/C26H21BrN4O/c1-16(2)17-9-12-19(13-10-17)31-29-24-14-11-18(15-25(24)30-31)28-26(32)22-7-3-6-21-20(22)5-4-8-23(21)27/h3-16H,1-2H3,(H,28,32)
InChIKeyYQMRWWCYOPULJO-UHFFFAOYSA-N
MW485.39 g/mol
LogP6.71
Rot. Bonds4

About 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide

5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide (PubChem CID 17220107) has the molecular formula C26H21BrN4O and a molecular weight of 485.39 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide
PubChem CID17220107
Molecular FormulaC26H21BrN4O
Molecular Weight485.39 g/mol
Exact Mass484.09
IUPAC Name5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide
SMILESCC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3n2)cc1
InChIInChI=1S/C26H21BrN4O/c1-16(2)17-9-12-19(13-10-17)31-29-24-14-11-18(15-25(24)30-31)28-26(32)22-7-3-6-21-20(22)5-4-8-23(21)27/h3-16H,1-2H3,(H,28,32)
InChIKeyYQMRWWCYOPULJO-UHFFFAOYSA-N
XLogP6.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.39
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220026
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220018
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220047
2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220188
5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
(E)-N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17219741
5-bromo-N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide
CID 17314343
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide (CID 17220107) is 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide is CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Br)cccc45)cc3n2)cc1.
What is the InChIKey of 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide?
The InChIKey is YQMRWWCYOPULJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21BrN4O/c1-16(2)17-9-12-19(13-10-17)31-29-24-14-11-18(15-25(24)30-31)28-26(32)22-7-3-6-21-20(22)5-4-8-23(21)27/h3-16H,1-2H3,(H,28,32).
What are the key properties of 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide?
5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 485.39 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 17220107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).