N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide

C23H20BrFN2O3 — CID 24544481

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H20BrFN2O3/c1-15-12-17(24)8-11-20(15)27-22(28)13-26-23(29)19-4-2-3-5-21(19)30-14-16-6-9-18(25)10-7-16/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28)
InChIKeyRCALLOFPRRSLIW-UHFFFAOYSA-N
MW471.33 g/mol
LogP4.84
Rot. Bonds7

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 24544481) has the molecular formula C23H20BrFN2O3 and a molecular weight of 471.33 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID24544481
Molecular FormulaC23H20BrFN2O3
Molecular Weight471.33 g/mol
Exact Mass470.06
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C23H20BrFN2O3/c1-15-12-17(24)8-11-20(15)27-22(28)13-26-23(29)19-4-2-3-5-21(19)30-14-16-6-9-18(25)10-7-16/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28)
InChIKeyRCALLOFPRRSLIW-UHFFFAOYSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 31306240
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27162055
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 16625912
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 46532208
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30314995
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46551543
2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26686342

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide (CID 24544481) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is RCALLOFPRRSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrFN2O3/c1-15-12-17(24)8-11-20(15)27-22(28)13-26-23(29)19-4-2-3-5-21(19)30-14-16-6-9-18(25)10-7-16/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 471.33 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 24544481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).