4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide

C12H14Br2N2O2 — CID 113280618

IUPAC4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccc(Br)cc2Br)CCOCC1
InChIInChI=1S/C12H14Br2N2O2/c13-8-1-2-10(9(14)7-8)16-11(17)12(15)3-5-18-6-4-12/h1-2,7H,3-6,15H2,(H,16,17)
InChIKeyMEVZALKRIITVCE-UHFFFAOYSA-N
MW378.06 g/mol
LogP2.66
Rot. Bonds2

About 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide

4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide (PubChem CID 113280618) has the molecular formula C12H14Br2N2O2 and a molecular weight of 378.06 g/mol. Its IUPAC name is 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
PubChem CID113280618
Molecular FormulaC12H14Br2N2O2
Molecular Weight378.06 g/mol
Exact Mass375.94
IUPAC Name4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccc(Br)cc2Br)CCOCC1
InChIInChI=1S/C12H14Br2N2O2/c13-8-1-2-10(9(14)7-8)16-11(17)12(15)3-5-18-6-4-12/h1-2,7H,3-6,15H2,(H,16,17)
InChIKeyMEVZALKRIITVCE-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
3-[(4-aminooxane-4-carbonyl)amino]-4-bromobenzoic acid
CID 107813404
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
CID 81259878
methyl 2-[(3-aminooxolane-3-carbonyl)amino]-3,5-dibromobenzoate
CID 64892746
4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
CID 115293503
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
4-amino-N-(3-bromo-5-methylphenyl)oxane-4-carboxamide
CID 107583475
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide (CID 113280618) is 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide is NC1(C(=O)Nc2ccc(Br)cc2Br)CCOCC1.
What is the InChIKey of 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide?
The InChIKey is MEVZALKRIITVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O2/c13-8-1-2-10(9(14)7-8)16-11(17)12(15)3-5-18-6-4-12/h1-2,7H,3-6,15H2,(H,16,17).
What are the key properties of 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide?
4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide has a molecular weight of 378.06 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dibromophenyl)oxane-4-carboxamide is sourced from PubChem (CID 113280618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).