3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide

C22H13F4N3O2 — CID 55699331

IUPAC3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1
InChIInChI=1S/C22H13F4N3O2/c23-16-6-4-14(5-7-16)20(30)28-17-8-9-19(18(11-17)22(24,25)26)29-21(31)15-3-1-2-13(10-15)12-27/h1-11H,(H,28,30)(H,29,31)
InChIKeyGUKSAMDPSKTWDJ-UHFFFAOYSA-N
MW427.36 g/mol
LogP5.22
Rot. Bonds4

About 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide

3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 55699331) has the molecular formula C22H13F4N3O2 and a molecular weight of 427.36 g/mol. Its IUPAC name is 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
PubChem CID55699331
Molecular FormulaC22H13F4N3O2
Molecular Weight427.36 g/mol
Exact Mass427.09
IUPAC Name3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1
InChIInChI=1S/C22H13F4N3O2/c23-16-6-4-14(5-7-16)20(30)28-17-8-9-19(18(11-17)22(24,25)26)29-21(31)15-3-1-2-13(10-15)12-27/h1-11H,(H,28,30)(H,29,31)
InChIKeyGUKSAMDPSKTWDJ-UHFFFAOYSA-N
XLogP5.22
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.36
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
N-[4-[(3-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782156
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 52598903
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzodioxole-4-carboxamide
CID 55820000
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 112831204
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55764325
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide (CID 55699331) is 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)c1.
What is the InChIKey of 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GUKSAMDPSKTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4N3O2/c23-16-6-4-14(5-7-16)20(30)28-17-8-9-19(18(11-17)22(24,25)26)29-21(31)15-3-1-2-13(10-15)12-27/h1-11H,(H,28,30)(H,29,31).
What are the key properties of 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide?
3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 427.36 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55699331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).