3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide

C21H17ClN4O — CID 1333527

IUPAC3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
SMILESCCc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O/c1-2-14-6-9-18(10-7-14)26-24-19-11-8-17(13-20(19)25-26)23-21(27)15-4-3-5-16(22)12-15/h3-13H,2H2,1H3,(H,23,27)
InChIKeyBURDFCCVHHKNNJ-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.89
Rot. Bonds4

About 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide

3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 1333527) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
PubChem CID1333527
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
SMILESCCc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O/c1-2-14-6-9-18(10-7-14)26-24-19-11-8-17(13-20(19)25-26)23-21(27)15-4-3-5-16(22)12-15/h3-13H,2H2,1H3,(H,23,27)
InChIKeyBURDFCCVHHKNNJ-UHFFFAOYSA-N
XLogP4.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide 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

4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
3,5-dichloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 17111009
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
3-chloro-N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 17104671
4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315
N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
CID 17219836
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylphenyl)benzotriazol-5-yl]propanamide
CID 5032493
3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 17219708
3-bromo-N-[2-(3-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 19577633
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333
N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]thiophene-2-carboxamide
CID 1340943

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide (CID 1333527) is 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide is CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is BURDFCCVHHKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-2-14-6-9-18(10-7-14)26-24-19-11-8-17(13-20(19)25-26)23-21(27)15-4-3-5-16(22)12-15/h3-13H,2H2,1H3,(H,23,27).
What are the key properties of 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide?
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 376.85 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 1333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).