5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C14H12Br2N2O3 — CID 51554035

IUPAC5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(Br)o1
InChIInChI=1S/C14H12Br2N2O3/c1-18(14(20)11-6-7-12(16)21-11)8-13(19)17-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H,17,19)
InChIKeyNZNJEBKCRXAGGH-UHFFFAOYSA-N
MW416.07 g/mol
LogP3.52
Rot. Bonds4

About 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 51554035) has the molecular formula C14H12Br2N2O3 and a molecular weight of 416.07 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID51554035
Molecular FormulaC14H12Br2N2O3
Molecular Weight416.07 g/mol
Exact Mass413.92
IUPAC Name5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(Br)o1
InChIInChI=1S/C14H12Br2N2O3/c1-18(14(20)11-6-7-12(16)21-11)8-13(19)17-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H,17,19)
InChIKeyNZNJEBKCRXAGGH-UHFFFAOYSA-N
XLogP3.52
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.07
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 9438199
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CID 2959503
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
5-bromo-N-methyl-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]furan-2-carboxamide
CID 87021208
N-[2-[(2-amino-2-phenylethyl)amino]-2-oxoethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 119527431
3-[[2-[(5-bromofuran-2-carbonyl)-methylamino]acetyl]amino]-2-methylpropanoic acid
CID 119236875
5-bromo-N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112834284
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8503043
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-3,5-dinitrobenzamide
CID 26896533
N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 25161549
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 51554035) is 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is NZNJEBKCRXAGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O3/c1-18(14(20)11-6-7-12(16)21-11)8-13(19)17-10-5-3-2-4-9(10)15/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 416.07 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 51554035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).