2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide

C16H14BrF2NO3 — CID 84603771

IUPAC2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14BrF2NO3/c1-10(22-14-5-3-2-4-13(14)17)15(21)20-11-6-8-12(9-7-11)23-16(18)19/h2-10,16H,1H3,(H,20,21)
InChIKeyMMUCUXSKQHNSFU-UHFFFAOYSA-N
MW386.19 g/mol
LogP4.46
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide

2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 84603771) has the molecular formula C16H14BrF2NO3 and a molecular weight of 386.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID84603771
Molecular FormulaC16H14BrF2NO3
Molecular Weight386.19 g/mol
Exact Mass385.01
IUPAC Name2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14BrF2NO3/c1-10(22-14-5-3-2-4-13(14)17)15(21)20-11-6-8-12(9-7-11)23-16(18)19/h2-10,16H,1H3,(H,20,21)
InChIKeyMMUCUXSKQHNSFU-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
4-[2-(2-bromophenoxy)propanoylamino]benzamide
CID 84603766
2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 6472883
(2R)-2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 40639361
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
2-(2-methoxyphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 15943089
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide (CID 84603771) is 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide is CC(Oc1ccccc1Br)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is MMUCUXSKQHNSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO3/c1-10(22-14-5-3-2-4-13(14)17)15(21)20-11-6-8-12(9-7-11)23-16(18)19/h2-10,16H,1H3,(H,20,21).
What are the key properties of 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 386.19 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 84603771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).