N,N-dichloro-2,3,4,5,6-pentafluorobenzamide

C7Cl2F5NO — CID 12568720

IUPACN,N-dichloro-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)N(Cl)Cl
InChIInChI=1S/C7Cl2F5NO/c8-15(9)7(16)1-2(10)4(12)6(14)5(13)3(1)11
InChIKeyIYPCDXMYBPKVSJ-UHFFFAOYSA-N
MW279.98 g/mol
LogP3.13
Rot. Bonds1

About N,N-dichloro-2,3,4,5,6-pentafluorobenzamide

N,N-dichloro-2,3,4,5,6-pentafluorobenzamide (PubChem CID 12568720) has the molecular formula C7Cl2F5NO and a molecular weight of 279.98 g/mol. Its IUPAC name is N,N-dichloro-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN,N-dichloro-2,3,4,5,6-pentafluorobenzamide
PubChem CID12568720
Molecular FormulaC7Cl2F5NO
Molecular Weight279.98 g/mol
Exact Mass278.93
IUPAC NameN,N-dichloro-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)N(Cl)Cl
InChIInChI=1S/C7Cl2F5NO/c8-15(9)7(16)1-2(10)4(12)6(14)5(13)3(1)11
InChIKeyIYPCDXMYBPKVSJ-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.98
LogP ≤ 53.13
H-Bond Donors ≤ 50
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N,N-dichloro-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

2,3,4,5,6-pentafluoro-N',N'-dimethyl-N-(2,3,4,5,6-pentafluorobenzoyl)benzohydrazide
CID 606788
2,3,4,5,6-pentafluoro-N,N-di(propan-2-yl)benzamide
CID 4575377
2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629
2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
N-(2-chloroethyl)-N-cyclobutyl-2,3,4,5,6-pentafluorobenzamide
CID 102872717
N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
CID 60722923
2-methyl-2-[methyl-(2,3,4,5,6-pentafluorobenzoyl)amino]propanoic acid
CID 62817966
1,5-bis(2,3,4,5,6-pentafluorophenyl)pentane-1,5-dione
CID 12687568
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)benzoyl chloride
CID 134617411
2,2-dichloro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 146007729
alumane;2,3,4,5,6-pentafluorobenzoic acid
CID 175014450
mercury;3,4,5,6-tetrafluorophthalic acid
CID 87844638

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N,N-dichloro-2,3,4,5,6-pentafluorobenzamide (CID 12568720) is N,N-dichloro-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N,N-dichloro-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N,N-dichloro-2,3,4,5,6-pentafluorobenzamide is O=C(c1c(F)c(F)c(F)c(F)c1F)N(Cl)Cl.
What is the InChIKey of N,N-dichloro-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is IYPCDXMYBPKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl2F5NO/c8-15(9)7(16)1-2(10)4(12)6(14)5(13)3(1)11.
What are the key properties of N,N-dichloro-2,3,4,5,6-pentafluorobenzamide?
N,N-dichloro-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 279.98 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 12568720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).