3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide

C14H19BrF2N2O2 — CID 61060548

IUPAC3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H19BrF2N2O2/c1-2-6-19-13(20)5-7-18-9-10-8-11(15)3-4-12(10)21-14(16)17/h3-4,8,14,18H,2,5-7,9H2,1H3,(H,19,20)
InChIKeyAWOSLWVIBLZUHP-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.06
Rot. Bonds9

About 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide

3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide (PubChem CID 61060548) has the molecular formula C14H19BrF2N2O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide
PubChem CID61060548
Molecular FormulaC14H19BrF2N2O2
Molecular Weight365.22 g/mol
Exact Mass364.06
IUPAC Name3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H19BrF2N2O2/c1-2-6-19-13(20)5-7-18-9-10-8-11(15)3-4-12(10)21-14(16)17/h3-4,8,14,18H,2,5-7,9H2,1H3,(H,19,20)
InChIKeyAWOSLWVIBLZUHP-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
CID 119313649
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220482
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119766532
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
(2S)-2-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119313626
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methoxypentan-1-amine
CID 103631883
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylbutanamide
CID 120500084
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952831
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
5-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]pentanenitrile
CID 119115180

Frequently Asked Questions

What is the IUPAC name of 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide?
The IUPAC name of 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide (CID 61060548) is 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1cc(Br)ccc1OC(F)F.
What is the InChIKey of 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide?
The InChIKey is AWOSLWVIBLZUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2O2/c1-2-6-19-13(20)5-7-18-9-10-8-11(15)3-4-12(10)21-14(16)17/h3-4,8,14,18H,2,5-7,9H2,1H3,(H,19,20).
What are the key properties of 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide?
3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide has a molecular weight of 365.22 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide is sourced from PubChem (CID 61060548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).