[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate

C24H21F2NO3 — CID 126609860

IUPAC[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)ccc1F
InChIInChI=1S/C24H21F2NO3/c1-15(2)24(29)30-14-18-6-3-4-9-22(18)27-23(28)20-13-17(10-11-21(20)26)16-7-5-8-19(25)12-16/h3-13,15H,14H2,1-2H3,(H,27,28)
InChIKeyKVNVNIKPSHRNNT-UHFFFAOYSA-N
MW409.43 g/mol
LogP5.58
Rot. Bonds6

About [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate

[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate (PubChem CID 126609860) has the molecular formula C24H21F2NO3 and a molecular weight of 409.43 g/mol. Its IUPAC name is [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate
PubChem CID126609860
Molecular FormulaC24H21F2NO3
Molecular Weight409.43 g/mol
Exact Mass409.15
IUPAC Name[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate
SMILESCC(C)C(=O)OCc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)ccc1F
InChIInChI=1S/C24H21F2NO3/c1-15(2)24(29)30-14-18-6-3-4-9-22(18)27-23(28)20-13-17(10-11-21(20)26)16-7-5-8-19(25)12-16/h3-13,15H,14H2,1-2H3,(H,27,28)
InChIKeyKVNVNIKPSHRNNT-UHFFFAOYSA-N
XLogP5.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.43
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]ethyl 2-methylpropanoate
CID 126609867
propan-2-yl 4-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]-1-benzofuran-2-carboxylate
CID 126609853
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477
2-fluoro-N-[2-(methoxymethyl)phenyl]-5-methylbenzamide
CID 62511821
N-[2-(ethoxymethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62511294
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
tert-butyl N-[[2-[(2,5-difluorobenzoyl)amino]phenyl]methyl]-N-ethylcarbamate
CID 55700706
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
(3-fluorophenyl)methyl (2R,3R)-2-[(5-chloro-2-fluorobenzoyl)amino]-3-hydroxybutanoate
CID 97005348
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811

Frequently Asked Questions

What is the IUPAC name of [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate?
The IUPAC name of [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate (CID 126609860) is [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate.
What is the SMILES notation for [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate?
The canonical SMILES for [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate is CC(C)C(=O)OCc1ccccc1NC(=O)c1cc(-c2cccc(F)c2)ccc1F.
What is the InChIKey of [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate?
The InChIKey is KVNVNIKPSHRNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO3/c1-15(2)24(29)30-14-18-6-3-4-9-22(18)27-23(28)20-13-17(10-11-21(20)26)16-7-5-8-19(25)12-16/h3-13,15H,14H2,1-2H3,(H,27,28).
What are the key properties of [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate?
[2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate has a molecular weight of 409.43 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]phenyl]methyl 2-methylpropanoate is sourced from PubChem (CID 126609860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).