N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide

C19H12ClFN4O — CID 3117301

IUPACN-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
SMILESO=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1F
InChIInChI=1S/C19H12ClFN4O/c20-12-4-3-5-14(10-12)25-23-17-9-8-13(11-18(17)24-25)22-19(26)15-6-1-2-7-16(15)21/h1-11H,(H,22,26)
InChIKeyZVOFWWDJVPXPJW-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.47
Rot. Bonds3

About N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide

N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide (PubChem CID 3117301) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
PubChem CID3117301
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC NameN-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide
SMILESO=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1F
InChIInChI=1S/C19H12ClFN4O/c20-12-4-3-5-14(10-12)25-23-17-9-8-13(11-18(17)24-25)22-19(26)15-6-1-2-7-16(15)21/h1-11H,(H,22,26)
InChIKeyZVOFWWDJVPXPJW-UHFFFAOYSA-N
XLogP4.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
4-tert-butyl-N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 3117315
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308346
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527
2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220188
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide (CID 3117301) is N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide is O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccccc1F.
What is the InChIKey of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide?
The InChIKey is ZVOFWWDJVPXPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-12-4-3-5-14(10-12)25-23-17-9-8-13(11-18(17)24-25)22-19(26)15-6-1-2-7-16(15)21/h1-11H,(H,22,26).
What are the key properties of N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide?
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide has a molecular weight of 366.78 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)benzotriazol-5-yl]-2-fluorobenzamide is sourced from PubChem (CID 3117301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).