N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide

C13H5ClF5NO — CID 2169782

IUPACN-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H5ClF5NO/c14-5-3-1-2-4-6(5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21)
InChIKeyPABFLIKKWKVQRL-UHFFFAOYSA-N
MW321.63 g/mol
LogP4.29
Rot. Bonds2

About N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide

N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2169782) has the molecular formula C13H5ClF5NO and a molecular weight of 321.63 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID2169782
Molecular FormulaC13H5ClF5NO
Molecular Weight321.63 g/mol
Exact Mass321.00
IUPAC NameN-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(Nc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H5ClF5NO/c14-5-3-1-2-4-6(5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21)
InChIKeyPABFLIKKWKVQRL-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.63
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide 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

Diflubenzuron
CID 37123
Teflubenzuron
CID 91734
Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
N-(4-Amino-2-chloro-5-methylphenyl)benzamide
CID 67133
3,4-dichloro-N-phenylbenzamide
CID 504156
3'-Chloro-M-toluanilide
CID 531963
N-(4-Fluorophenyl)benzamide
CID 242889
2-fluoro-N-(4-fluorophenyl)benzamide
CID 531933
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide (CID 2169782) is N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide is O=C(Nc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is PABFLIKKWKVQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF5NO/c14-5-3-1-2-4-6(5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide?
N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 321.63 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2169782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).