N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide

C23H21BrClNO3 — CID 162670086

IUPACN-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrClNO3/c1-23(2,29-21-11-7-18(25)8-12-21)22(27)26-19-9-13-20(14-10-19)28-15-16-3-5-17(24)6-4-16/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyZGZHESZKTVUYDT-UHFFFAOYSA-N
MW474.78 g/mol
LogP6.48
Rot. Bonds7

About N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide

N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 162670086) has the molecular formula C23H21BrClNO3 and a molecular weight of 474.78 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID162670086
Molecular FormulaC23H21BrClNO3
Molecular Weight474.78 g/mol
Exact Mass473.04
IUPAC NameN-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrClNO3/c1-23(2,29-21-11-7-18(25)8-12-21)22(27)26-19-9-13-20(14-10-19)28-15-16-3-5-17(24)6-4-16/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyZGZHESZKTVUYDT-UHFFFAOYSA-N
XLogP6.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide (CID 162670086) is N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is ZGZHESZKTVUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClNO3/c1-23(2,29-21-11-7-18(25)8-12-21)22(27)26-19-9-13-20(14-10-19)28-15-16-3-5-17(24)6-4-16/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide?
N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 474.78 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)methoxy]phenyl]-2-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 162670086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).