methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate

C15H13BrClNO4 — CID 51314456

IUPACmethyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(Cl)o1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO4/c1-21-14(19)8-11(9-2-4-10(16)5-3-9)18-15(20)12-6-7-13(17)22-12/h2-7,11H,8H2,1H3,(H,18,20)
InChIKeyFVERWHKJCWDAHI-UHFFFAOYSA-N
MW386.63 g/mol
LogP3.73
Rot. Bonds5

About methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate

methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate (PubChem CID 51314456) has the molecular formula C15H13BrClNO4 and a molecular weight of 386.63 g/mol. Its IUPAC name is methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate
PubChem CID51314456
Molecular FormulaC15H13BrClNO4
Molecular Weight386.63 g/mol
Exact Mass384.97
IUPAC Namemethyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(Cl)o1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO4/c1-21-14(19)8-11(9-2-4-10(16)5-3-9)18-15(20)12-6-7-13(17)22-12/h2-7,11H,8H2,1H3,(H,18,20)
InChIKeyFVERWHKJCWDAHI-UHFFFAOYSA-N
XLogP3.73
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-[(5-bromofuran-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 51967895
methyl 3-(4-bromophenyl)-3-[(5-chloro-2-hydroxybenzoyl)amino]propanoate
CID 68869406
methyl 3-[(5-bromo-2-fluorobenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55439318
methyl (3S)-3-(4-bromophenyl)-3-[[2-(methylamino)acetyl]amino]propanoate
CID 124687173
methyl 3-(4-bromophenyl)-3-[(1-oxidopyridin-1-ium-4-carbonyl)amino]propanoate
CID 51284399
methyl 3-(4-bromophenyl)-3-(naphthalene-2-carbonylamino)propanoate
CID 134015803
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
methyl (3S)-3-(4-bromophenyl)-3-[(2-cyanoacetyl)amino]propanoate
CID 99697994
methyl 3-[(2-bromo-5-methoxybenzoyl)amino]-3-(4-chlorophenyl)propanoate
CID 55369954
methyl 3-(4-bromophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]propanoate
CID 55440032
methyl 3-(4-bromophenyl)-3-(oxane-4-carbonylamino)propanoate
CID 51256962
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate (CID 51314456) is methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate is COC(=O)CC(NC(=O)c1ccc(Cl)o1)c1ccc(Br)cc1.
What is the InChIKey of methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate?
The InChIKey is FVERWHKJCWDAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO4/c1-21-14(19)8-11(9-2-4-10(16)5-3-9)18-15(20)12-6-7-13(17)22-12/h2-7,11H,8H2,1H3,(H,18,20).
What are the key properties of methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate?
methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate has a molecular weight of 386.63 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromophenyl)-3-[(5-chlorofuran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 51314456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).