2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide

C22H10F10N2O2 — CID 4597287

IUPAC2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H10F10N2O2/c23-11-9(12(24)16(28)19(31)15(11)27)21(35)33-5-7-1-2-8(4-3-7)6-34-22(36)10-13(25)17(29)20(32)18(30)14(10)26/h1-4H,5-6H2,(H,33,35)(H,34,36)
InChIKeyBOYVMBDTVZRWRS-UHFFFAOYSA-N
MW524.31 g/mol
LogP4.94
Rot. Bonds6

About 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide

2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide (PubChem CID 4597287) has the molecular formula C22H10F10N2O2 and a molecular weight of 524.31 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
PubChem CID4597287
Molecular FormulaC22H10F10N2O2
Molecular Weight524.31 g/mol
Exact Mass524.06
IUPAC Name2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H10F10N2O2/c23-11-9(12(24)16(28)19(31)15(11)27)21(35)33-5-7-1-2-8(4-3-7)6-34-22(36)10-13(25)17(29)20(32)18(30)14(10)26/h1-4H,5-6H2,(H,33,35)(H,34,36)
InChIKeyBOYVMBDTVZRWRS-UHFFFAOYSA-N
XLogP4.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.31
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentafluoro-N-[[4-[(E)-3-oxobut-1-enyl]phenyl]methyl]benzamide
CID 164996905
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-difluorobenzamide
CID 103746958
N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide (CID 4597287) is 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide is O=C(NCc1ccc(CNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide?
The InChIKey is BOYVMBDTVZRWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F10N2O2/c23-11-9(12(24)16(28)19(31)15(11)27)21(35)33-5-7-1-2-8(4-3-7)6-34-22(36)10-13(25)17(29)20(32)18(30)14(10)26/h1-4H,5-6H2,(H,33,35)(H,34,36).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide?
2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide has a molecular weight of 524.31 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 4597287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).