N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide

C17H17BrFNO2 — CID 56574415

IUPACN-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NOCc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C17H17BrFNO2/c1-17(2,13-6-4-3-5-7-13)16(21)20-22-11-12-8-9-14(19)10-15(12)18/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyFPZBLIGNKXZQCT-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.11
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide

N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide (PubChem CID 56574415) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide
PubChem CID56574415
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC NameN-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NOCc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C17H17BrFNO2/c1-17(2,13-6-4-3-5-7-13)16(21)20-22-11-12-8-9-14(19)10-15(12)18/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyFPZBLIGNKXZQCT-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-1-(2-bromo-4-fluorophenyl)-3-methylbutan-2-one
CID 116598686
(2-bromo-4-fluorophenyl)methyl 2-aminobenzoate
CID 60730709
2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide
CID 56574152
N-methoxy-2-methyl-2-phenylpropanamide
CID 60717949
3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
CID 116563898
2-methyl-N-[2-(2-methylphenoxy)ethoxy]-2-phenylpropanamide
CID 56539537
4-(2-bromo-4-fluorophenyl)-3,3-dimethylbutanoic acid
CID 81004360
2-[(2-bromo-4-fluorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 79445085
2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide
CID 56522962
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345
2-bromo-1-(3,3-dimethylbutoxymethyl)-4-fluorobenzene
CID 66225152
4-[(2-bromo-4-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673708

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide (CID 56574415) is N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NOCc1ccc(F)cc1Br)c1ccccc1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide?
The InChIKey is FPZBLIGNKXZQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-17(2,13-6-4-3-5-7-13)16(21)20-22-11-12-8-9-14(19)10-15(12)18/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide?
N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide has a molecular weight of 366.23 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methoxy]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 56574415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).