N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide

C26H25F4N3O2 — CID 55765297

IUPACN-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1
InChIInChI=1S/C26H25F4N3O2/c1-3-33(4-2)16-17-9-11-18(12-10-17)24(34)32-23-14-13-19(15-21(23)26(28,29)30)31-25(35)20-7-5-6-8-22(20)27/h5-15H,3-4,16H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyIBGKMHFRXVPCGH-UHFFFAOYSA-N
MW487.50 g/mol
LogP6.19
Rot. Bonds8

About N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide

N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide (PubChem CID 55765297) has the molecular formula C26H25F4N3O2 and a molecular weight of 487.50 g/mol. Its IUPAC name is N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
PubChem CID55765297
Molecular FormulaC26H25F4N3O2
Molecular Weight487.50 g/mol
Exact Mass487.19
IUPAC NameN-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1
InChIInChI=1S/C26H25F4N3O2/c1-3-33(4-2)16-17-9-11-18(12-10-17)24(34)32-23-14-13-19(15-21(23)26(28,29)30)31-25(35)20-7-5-6-8-22(20)27/h5-15H,3-4,16H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyIBGKMHFRXVPCGH-UHFFFAOYSA-N
XLogP6.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[4-[[4-(methylsulfanylmethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765716
N-[4-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765682
N-[4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765550
2-fluoro-N-[4-[(4-pyrazol-1-ylbenzoyl)amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765236
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 112831169
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55765460
5-bromo-2-fluoro-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]benzamide
CID 55765621
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765240
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 52638821

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide (CID 55765297) is N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide is CCN(CC)Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
The InChIKey is IBGKMHFRXVPCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N3O2/c1-3-33(4-2)16-17-9-11-18(12-10-17)24(34)32-23-14-13-19(15-21(23)26(28,29)30)31-25(35)20-7-5-6-8-22(20)27/h5-15H,3-4,16H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide?
N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide has a molecular weight of 487.50 g/mol, XLogP of 6.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylaminomethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 55765297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).