N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide

C15H13ClN4O — CID 648531

IUPACN-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
SMILESCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C15H13ClN4O/c1-2-15(21)17-12-9-14-13(8-11(12)16)18-20(19-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,21)
InChIKeyQOUBYVKINDYBIU-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.42
Rot. Bonds3

About N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide

N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide (PubChem CID 648531) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
PubChem CID648531
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide
SMILESCCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
InChIInChI=1S/C15H13ClN4O/c1-2-15(21)17-12-9-14-13(8-11(12)16)18-20(19-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,21)
InChIKeyQOUBYVKINDYBIU-UHFFFAOYSA-N
XLogP3.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide 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

6-chloro-2-phenyl-2H-benzotriazol-5-amine
CID 736374
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
1-(3-Chloro-phenyl)-3-(1-methyl-1H-benzotriazol-5-yl)-urea
CID 893344
N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 652622
N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methylpropanamide
CID 738267
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 881898
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2,2-dimethylpropanamide
CID 960954
N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-3-methylbutanamide
CID 960956
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]acetamide
CID 1348154
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
The IUPAC name of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide (CID 648531) is N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide.
What is the SMILES notation for N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
The canonical SMILES for N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide is CCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl.
What is the InChIKey of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
The InChIKey is QOUBYVKINDYBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-15(21)17-12-9-14-13(8-11(12)16)18-20(19-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,21).
What are the key properties of N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide?
N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide has a molecular weight of 300.75 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-phenylbenzotriazol-5-yl)propanamide is sourced from PubChem (CID 648531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).