2-[(4-bromophenyl)methoxy]propanamide

C10H12BrNO2 — CID 82831353

IUPAC2-[(4-bromophenyl)methoxy]propanamide
SMILESCC(OCc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C10H12BrNO2/c1-7(10(12)13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyYSSONMRCDCOTSY-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.84
Rot. Bonds4

About 2-[(4-bromophenyl)methoxy]propanamide

2-[(4-bromophenyl)methoxy]propanamide (PubChem CID 82831353) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]propanamide
PubChem CID82831353
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name2-[(4-bromophenyl)methoxy]propanamide
SMILESCC(OCc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C10H12BrNO2/c1-7(10(12)13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyYSSONMRCDCOTSY-UHFFFAOYSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)methoxy]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

CID 344960
CID 344960
CID 14984919
CID 14984919
CID 76324704
CID 76324704
CID 76328262
CID 76328262
CID 140387426
CID 140387426
CID 2429694
CID 2429694
CID 42643808
CID 42643808
CID 63936559
CID 63936559
CID 63936560
CID 63936560
CID 64537171
CID 64537171
CID 82825977
CID 82825977
CID 84006644
CID 84006644

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]propanamide?
The IUPAC name of 2-[(4-bromophenyl)methoxy]propanamide (CID 82831353) is 2-[(4-bromophenyl)methoxy]propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]propanamide?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]propanamide is CC(OCc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]propanamide?
The InChIKey is YSSONMRCDCOTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7(10(12)13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 2-[(4-bromophenyl)methoxy]propanamide?
2-[(4-bromophenyl)methoxy]propanamide has a molecular weight of 258.12 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]propanamide is sourced from PubChem (CID 82831353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).