N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide

C22H12F8N2O2 — CID 134101759

IUPACN-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(NC(=O)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H12F8N2O2/c23-16-14(17(24)19(26)20(27)18(16)25)9-15(33)31-12-6-11(22(28,29)30)7-13(8-12)32-21(34)10-4-2-1-3-5-10/h1-8H,9H2,(H,31,33)(H,32,34)
InChIKeySQLCFAUCEWTANT-UHFFFAOYSA-N
MW488.33 g/mol
LogP5.83
Rot. Bonds5

About N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide

N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 134101759) has the molecular formula C22H12F8N2O2 and a molecular weight of 488.33 g/mol. Its IUPAC name is N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide
PubChem CID134101759
Molecular FormulaC22H12F8N2O2
Molecular Weight488.33 g/mol
Exact Mass488.08
IUPAC NameN-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(NC(=O)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H12F8N2O2/c23-16-14(17(24)19(26)20(27)18(16)25)9-15(33)31-12-6-11(22(28,29)30)7-13(8-12)32-21(34)10-4-2-1-3-5-10/h1-8H,9H2,(H,31,33)(H,32,34)
InChIKeySQLCFAUCEWTANT-UHFFFAOYSA-N
XLogP5.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.33
LogP ≤ 55.83
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

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CID 65490452
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3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
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N-[3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide
CID 55797164
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
3-[[2-[2-(prop-2-enoylamino)phenyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 166420789
3-[(2-phenylacetyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168214
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
3-[3-(2-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795446
3,5-dibenzamido-N-phenylbenzamide
CID 17340966

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide (CID 134101759) is N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide is O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(NC(=O)c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SQLCFAUCEWTANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F8N2O2/c23-16-14(17(24)19(26)20(27)18(16)25)9-15(33)31-12-6-11(22(28,29)30)7-13(8-12)32-21(34)10-4-2-1-3-5-10/h1-8H,9H2,(H,31,33)(H,32,34).
What are the key properties of N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide?
N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 488.33 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134101759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).