4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide

C12H15BrF2N2O2 — CID 119313649

IUPAC4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C12H15BrF2N2O2/c13-9-3-4-10(19-12(14)15)8(6-9)7-17-11(18)2-1-5-16/h3-4,6,12H,1-2,5,7,16H2,(H,17,18)
InChIKeyIJOPHDZNXRVMPM-UHFFFAOYSA-N
MW337.16 g/mol
LogP2.41
Rot. Bonds7

About 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide

4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide (PubChem CID 119313649) has the molecular formula C12H15BrF2N2O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
PubChem CID119313649
Molecular FormulaC12H15BrF2N2O2
Molecular Weight337.16 g/mol
Exact Mass336.03
IUPAC Name4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C12H15BrF2N2O2/c13-9-3-4-10(19-12(14)15)8(6-9)7-17-11(18)2-1-5-16/h3-4,6,12H,1-2,5,7,16H2,(H,17,18)
InChIKeyIJOPHDZNXRVMPM-UHFFFAOYSA-N
XLogP2.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119766532
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319
(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-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]-N-propylpropanamide
CID 61060548
4-(aminomethyl)-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120930060
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86876414
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505
1-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 110930479
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 43232569
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119766537

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide (CID 119313649) is 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide is NCCCC(=O)NCc1cc(Br)ccc1OC(F)F.
What is the InChIKey of 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide?
The InChIKey is IJOPHDZNXRVMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O2/c13-9-3-4-10(19-12(14)15)8(6-9)7-17-11(18)2-1-5-16/h3-4,6,12H,1-2,5,7,16H2,(H,17,18).
What are the key properties of 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide?
4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide has a molecular weight of 337.16 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 119313649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).