N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide

C16H18Br2N2O2 — CID 112771099

IUPACN-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
SMILESCc1ccc(C(C)NC(C)C(=O)Nc2ccc(Br)cc2Br)o1
InChIInChI=1S/C16H18Br2N2O2/c1-9-4-7-15(22-9)10(2)19-11(3)16(21)20-14-6-5-12(17)8-13(14)18/h4-8,10-11,19H,1-3H3,(H,20,21)
InChIKeyDMNCSIABJQHDLC-UHFFFAOYSA-N
MW430.14 g/mol
LogP4.79
Rot. Bonds5

About N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide

N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide (PubChem CID 112771099) has the molecular formula C16H18Br2N2O2 and a molecular weight of 430.14 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
PubChem CID112771099
Molecular FormulaC16H18Br2N2O2
Molecular Weight430.14 g/mol
Exact Mass427.97
IUPAC NameN-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
SMILESCc1ccc(C(C)NC(C)C(=O)Nc2ccc(Br)cc2Br)o1
InChIInChI=1S/C16H18Br2N2O2/c1-9-4-7-15(22-9)10(2)19-11(3)16(21)20-14-6-5-12(17)8-13(14)18/h4-8,10-11,19H,1-3H3,(H,20,21)
InChIKeyDMNCSIABJQHDLC-UHFFFAOYSA-N
XLogP4.79
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.14
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 112771098
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244
2-(2,4-dibromoanilino)-N-phenylpropanamide
CID 60680693
N-cyclohexyl-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
CID 60654151
(2R)-N-(2,4-dibromophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 37309340
2-(3-bromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]acetamide
CID 86789547
2-amino-N-(2,4-dibromophenyl)-3-methylpentanamide
CID 43702668
N-[2-[bis(5-methylfuran-2-yl)methyl]-5-bromophenyl]acetamide
CID 11603459
5-bromo-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 114259409
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
CID 51944658
2-acetamido-N-(4-bromo-2-methylphenyl)propanamide
CID 78768995
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide (CID 112771099) is N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide is Cc1ccc(C(C)NC(C)C(=O)Nc2ccc(Br)cc2Br)o1.
What is the InChIKey of N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide?
The InChIKey is DMNCSIABJQHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O2/c1-9-4-7-15(22-9)10(2)19-11(3)16(21)20-14-6-5-12(17)8-13(14)18/h4-8,10-11,19H,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide?
N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide has a molecular weight of 430.14 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide is sourced from PubChem (CID 112771099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).