5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide

C15H15BrN2O4 — CID 9246286

IUPAC5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O4/c1-21-11-5-3-2-4-10(11)8-17-14(19)9-18-15(20)12-6-7-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHLJHIHNMSWGHCD-UHFFFAOYSA-N
MW367.20 g/mol
LogP2.10
Rot. Bonds6

About 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9246286) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9246286
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O4/c1-21-11-5-3-2-4-10(11)8-17-14(19)9-18-15(20)12-6-7-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHLJHIHNMSWGHCD-UHFFFAOYSA-N
XLogP2.10
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylfuran-2-carboxamide
CID 347531
N-(4-ethoxybenzyl)furan-2-carboxamide
CID 861821
5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 888361
5-bromo-N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 1770747
5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
CID 2574277
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570
N-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]furan-2-carboxamide
CID 2713259
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide
CID 2971387
5-bromo-N-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-2-furamide
CID 2977240
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 4561126
Ethyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-3-carboxylate
CID 4787844
N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 4789973

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (CID 9246286) is 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is COc1ccccc1CNC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is HLJHIHNMSWGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c1-21-11-5-3-2-4-10(11)8-17-14(19)9-18-15(20)12-6-7-13(16)22-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9246286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).