2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide

C11H13BrF2N2O2 — CID 43232569

IUPAC2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
SMILESCC(NCc1cc(Br)ccc1OC(F)F)C(N)=O
InChIInChI=1S/C11H13BrF2N2O2/c1-6(10(15)17)16-5-7-4-8(12)2-3-9(7)18-11(13)14/h2-4,6,11,16H,5H2,1H3,(H2,15,17)
InChIKeyPVKTXZDGRYXTRT-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.01
Rot. Bonds6

About 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide

2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 43232569) has the molecular formula C11H13BrF2N2O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
PubChem CID43232569
Molecular FormulaC11H13BrF2N2O2
Molecular Weight323.14 g/mol
Exact Mass322.01
IUPAC Name2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
SMILESCC(NCc1cc(Br)ccc1OC(F)F)C(N)=O
InChIInChI=1S/C11H13BrF2N2O2/c1-6(10(15)17)16-5-7-4-8(12)2-3-9(7)18-11(13)14/h2-4,6,11,16H,5H2,1H3,(H2,15,17)
InChIKeyPVKTXZDGRYXTRT-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]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

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-2-amine
CID 43221077
2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]propanamide
CID 43402355
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 43277599
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43230665
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylbutanamide
CID 120500084
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119766532
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-methoxypropan-2-amine
CID 43220853
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
1-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 110930479
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide (CID 43232569) is 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide is CC(NCc1cc(Br)ccc1OC(F)F)C(N)=O.
What is the InChIKey of 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is PVKTXZDGRYXTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2/c1-6(10(15)17)16-5-7-4-8(12)2-3-9(7)18-11(13)14/h2-4,6,11,16H,5H2,1H3,(H2,15,17).
What are the key properties of 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide?
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 323.14 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 43232569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).