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

C15H14BrClN2O4 — CID 9438199

IUPAC5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H14BrClN2O4/c1-19(15(21)12-5-6-13(16)23-12)8-14(20)18-10-7-9(17)3-4-11(10)22-2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyDXRJAEDJJHDMIX-UHFFFAOYSA-N
MW401.64 g/mol
LogP3.41
Rot. Bonds5

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

5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 9438199) has the molecular formula C15H14BrClN2O4 and a molecular weight of 401.64 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID9438199
Molecular FormulaC15H14BrClN2O4
Molecular Weight401.64 g/mol
Exact Mass399.98
IUPAC Name5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H14BrClN2O4/c1-19(15(21)12-5-6-13(16)23-12)8-14(20)18-10-7-9(17)3-4-11(10)22-2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyDXRJAEDJJHDMIX-UHFFFAOYSA-N
XLogP3.41
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55329890
5-(4-bromophenyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpentanamide
CID 55754958
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 55330028
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 55388575
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8620835
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27245883
1-[(5-bromofuran-2-carbonyl)amino]-3-(5-chloro-2-methoxyphenyl)thiourea
CID 2211471
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-propan-2-yloxybenzamide
CID 9438206
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 9438199) is 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is DXRJAEDJJHDMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O4/c1-19(15(21)12-5-6-13(16)23-12)8-14(20)18-10-7-9(17)3-4-11(10)22-2/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 401.64 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 9438199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).