2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide

C20H23BrN2O3 — CID 9204506

IUPAC2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C20H23BrN2O3/c1-13(2)18(24)22-15-6-5-7-16(12-15)23-19(25)20(3,4)26-17-10-8-14(21)9-11-17/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyQNYUBOSNQJNREG-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.84
Rot. Bonds6

About 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide

2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide (PubChem CID 9204506) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide
PubChem CID9204506
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1
InChIInChI=1S/C20H23BrN2O3/c1-13(2)18(24)22-15-6-5-7-16(12-15)23-19(25)20(3,4)26-17-10-8-14(21)9-11-17/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyQNYUBOSNQJNREG-UHFFFAOYSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
2-(4-bromophenoxy)-N-(2-ethylphenyl)-2-methylpropanamide
CID 17162562
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
CID 30309174
2-(4-bromophenoxy)-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17274584
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 17099076
N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
CID 78894521
N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide
CID 102975691
2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 982295
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
2-(4-bromophenoxy)-2-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17313544

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide (CID 9204506) is 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide is CC(C)C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide?
The InChIKey is QNYUBOSNQJNREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-13(2)18(24)22-15-6-5-7-16(12-15)23-19(25)20(3,4)26-17-10-8-14(21)9-11-17/h5-13H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide?
2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide has a molecular weight of 419.32 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-2-methyl-N-[3-(2-methylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 9204506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).