3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide

C23H19F3N2O2 — CID 58677526

IUPAC3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCF)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C23H19F3N2O2/c1-14-2-3-16(23(30)27-11-10-24)12-19(14)22(29)15-4-7-18(8-5-15)28-21-9-6-17(25)13-20(21)26/h2-9,12-13,28H,10-11H2,1H3,(H,27,30)
InChIKeyJOFZGFOPROMAIT-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.95
Rot. Bonds7

About 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide

3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide (PubChem CID 58677526) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide
PubChem CID58677526
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCF)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C23H19F3N2O2/c1-14-2-3-16(23(30)27-11-10-24)12-19(14)22(29)15-4-7-18(8-5-15)28-21-9-6-17(25)13-20(21)26/h2-9,12-13,28H,10-11H2,1H3,(H,27,30)
InChIKeyJOFZGFOPROMAIT-UHFFFAOYSA-N
XLogP4.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzamide
CID 11409234
4-chloro-3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(2-hydroxyethyl)benzamide
CID 58677556
3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methyl-N-phenylbenzamide
CID 141106486
3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-N-(1-hydroxybutan-2-yl)-4-methylbenzamide
CID 58677675
[4-(2,4-difluoroanilino)phenyl]-(2-methoxy-5-methylphenyl)methanone
CID 142171196
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
[5-[(Z)-1-amino-2-(2-hydroxyethylamino)ethenyl]-2-methylphenyl]-[2-chloro-4-(2,4-difluoroanilino)phenyl]methanone
CID 143241599
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
[4-[[3-[2-chloro-4-(2,4-difluoroanilino)benzoyl]-4-methylbenzoyl]amino]thiophen-3-yl] methyl carbonate
CID 67457451
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide?
The IUPAC name of 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide (CID 58677526) is 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide.
What is the SMILES notation for 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide?
The canonical SMILES for 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCF)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide?
The InChIKey is JOFZGFOPROMAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-14-2-3-16(23(30)27-11-10-24)12-19(14)22(29)15-4-7-18(8-5-15)28-21-9-6-17(25)13-20(21)26/h2-9,12-13,28H,10-11H2,1H3,(H,27,30).
What are the key properties of 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide?
3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide has a molecular weight of 412.41 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluoroanilino)benzoyl]-N-(2-fluoroethyl)-4-methylbenzamide is sourced from PubChem (CID 58677526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).