N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide

C13H9ClN4O — CID 134159467

IUPACN-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide
SMILESO=CNc1ccc(-n2nc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C13H9ClN4O/c14-9-1-6-12-13(7-9)17-18(16-12)11-4-2-10(3-5-11)15-8-19/h1-8H,(H,15,19)
InChIKeyASQHAPIUDHMYNY-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.64
Rot. Bonds3

About N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide

N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide (PubChem CID 134159467) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide
PubChem CID134159467
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC NameN-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide
SMILESO=CNc1ccc(-n2nc3ccc(Cl)cc3n2)cc1
InChIInChI=1S/C13H9ClN4O/c14-9-1-6-12-13(7-9)17-18(16-12)11-4-2-10(3-5-11)15-8-19/h1-8H,(H,15,19)
InChIKeyASQHAPIUDHMYNY-UHFFFAOYSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2,6-dichloro-4-(5-chlorobenzotriazol-2-yl)phenyl] formate
CID 54404414
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-cyanoacetamide
CID 168521649
N-[4-(5-chlorobenzotriazol-2-yl)phenyl]-4-nitrobenzamide
CID 134159674
3,6-dichloro-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
CID 3534292
1-[2-(4-chlorophenyl)benzotriazol-5-yl]-3-methylthiourea
CID 163367313
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169371169
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
4-chloro-N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3521330
N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
CID 23848322
2-(4-chlorophenyl)sulfanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
CID 4566393
N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide?
The IUPAC name of N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide (CID 134159467) is N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide?
The canonical SMILES for N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide is O=CNc1ccc(-n2nc3ccc(Cl)cc3n2)cc1.
What is the InChIKey of N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide?
The InChIKey is ASQHAPIUDHMYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-9-1-6-12-13(7-9)17-18(16-12)11-4-2-10(3-5-11)15-8-19/h1-8H,(H,15,19).
What are the key properties of N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide?
N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide has a molecular weight of 272.70 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide is sourced from PubChem (CID 134159467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).