[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C15H14BrNO5 — CID 8014074

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C15H14BrNO5/c1-20-11-4-2-3-10(7-11)8-17-14(18)9-21-15(19)12-5-6-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeySAUJMVHTTJFERJ-UHFFFAOYSA-N
MW368.18 g/mol
LogP2.52
Rot. Bonds6

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 8014074) has the molecular formula C15H14BrNO5 and a molecular weight of 368.18 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID8014074
Molecular FormulaC15H14BrNO5
Molecular Weight368.18 g/mol
Exact Mass367.01
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCOc1cccc(CNC(=O)COC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C15H14BrNO5/c1-20-11-4-2-3-10(7-11)8-17-14(18)9-21-15(19)12-5-6-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,18)
InChIKeySAUJMVHTTJFERJ-UHFFFAOYSA-N
XLogP2.52
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727719
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2423206
[2-[(3-bromophenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860539
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 8875944
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-hydroxybenzoate
CID 7776937
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573758
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186827
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 71820659
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7372528
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471723

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 8014074) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate is COc1cccc(CNC(=O)COC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is SAUJMVHTTJFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO5/c1-20-11-4-2-3-10(7-11)8-17-14(18)9-21-15(19)12-5-6-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,18).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 368.18 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 8014074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).