N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide

C23H20BrFN2O3 — CID 25161549

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H20BrFN2O3/c1-27(14-22(28)26-20-8-4-3-7-19(20)24)23(29)18-6-2-5-9-21(18)30-15-16-10-12-17(25)13-11-16/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyOZXTYCFCTKTYCS-UHFFFAOYSA-N
MW471.33 g/mol
LogP4.88
Rot. Bonds7

About N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide (PubChem CID 25161549) has the molecular formula C23H20BrFN2O3 and a molecular weight of 471.33 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
PubChem CID25161549
Molecular FormulaC23H20BrFN2O3
Molecular Weight471.33 g/mol
Exact Mass470.06
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H20BrFN2O3/c1-27(14-22(28)26-20-8-4-3-7-19(20)24)23(29)18-6-2-5-9-21(18)30-15-16-10-12-17(25)13-11-16/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyOZXTYCFCTKTYCS-UHFFFAOYSA-N
XLogP4.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27786720
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 24544481
N-(2-fluorophenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26115053
2-[(4-fluorophenyl)methoxy]-N,N-dipropylbenzamide
CID 13073631
N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
CID 51194781
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethoxy)benzamide
CID 4845703
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-(2-amino-2-methylpropyl)-2-[(4-fluorophenyl)methoxy]benzamide;hydrochloride
CID 119626985
[2-(2-bromophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 23768164

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide (CID 25161549) is N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
The InChIKey is OZXTYCFCTKTYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrFN2O3/c1-27(14-22(28)26-20-8-4-3-7-19(20)24)23(29)18-6-2-5-9-21(18)30-15-16-10-12-17(25)13-11-16/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide has a molecular weight of 471.33 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 25161549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).