[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C14H10BrClFNO4 — CID 71820659

IUPAC[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Br)o1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO4/c15-12-4-3-11(22-12)14(20)21-7-13(19)18-6-8-1-2-10(17)9(16)5-8/h1-5H,6-7H2,(H,18,19)
InChIKeyMHQWMUIGSPQMCL-UHFFFAOYSA-N
MW390.59 g/mol
LogP3.31
Rot. Bonds5

About [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 71820659) has the molecular formula C14H10BrClFNO4 and a molecular weight of 390.59 g/mol. Its IUPAC name is [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID71820659
Molecular FormulaC14H10BrClFNO4
Molecular Weight390.59 g/mol
Exact Mass388.95
IUPAC Name[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Br)o1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO4/c15-12-4-3-11(22-12)14(20)21-7-13(19)18-6-8-1-2-10(17)9(16)5-8/h1-5H,6-7H2,(H,18,19)
InChIKeyMHQWMUIGSPQMCL-UHFFFAOYSA-N
XLogP3.31
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573758
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 4-fluorobenzoate
CID 46860445
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 50926049
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 46860564
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014074
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 46924921
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2119042
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2431119
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837297
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643918
2-hydroxyethyl N-[(3-chloro-4-fluorophenyl)methyl]carbamate
CID 79349579

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 71820659) is [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate is O=C(COC(=O)c1ccc(Br)o1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is MHQWMUIGSPQMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO4/c15-12-4-3-11(22-12)14(20)21-7-13(19)18-6-8-1-2-10(17)9(16)5-8/h1-5H,6-7H2,(H,18,19).
What are the key properties of [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 390.59 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 71820659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).