methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate

C19H20BrNO5 — CID 55775432

IUPACmethyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)CCCC1
InChIInChI=1S/C19H20BrNO5/c1-24-18(23)19(10-2-3-11-19)21-17(22)16-9-8-15(26-16)12-25-14-6-4-13(20)5-7-14/h4-9H,2-3,10-12H2,1H3,(H,21,22)
InChIKeyZPXIGEYOZZTNFL-UHFFFAOYSA-N
MW422.28 g/mol
LogP3.84
Rot. Bonds6

About methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate

methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 55775432) has the molecular formula C19H20BrNO5 and a molecular weight of 422.28 g/mol. Its IUPAC name is methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate
PubChem CID55775432
Molecular FormulaC19H20BrNO5
Molecular Weight422.28 g/mol
Exact Mass421.05
IUPAC Namemethyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)CCCC1
InChIInChI=1S/C19H20BrNO5/c1-24-18(23)19(10-2-3-11-19)21-17(22)16-9-8-15(26-16)12-25-14-6-4-13(20)5-7-14/h4-9H,2-3,10-12H2,1H3,(H,21,22)
InChIKeyZPXIGEYOZZTNFL-UHFFFAOYSA-N
XLogP3.84
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-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

N-(2-amino-2-methylpropyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119628540
(2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369410
5-[(4-bromophenoxy)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19413541
N-[1-(1-adamantyl)propyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413535
methyl 1-[(7-bromo-1-benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 38939482
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
5-[(4-bromophenoxy)methyl]-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 55772175
5-[(4-bromophenoxy)methyl]-N-(3-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120557308
5-[(4-bromophenoxy)methyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55776259
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 120805733
N'-(2-bromo-5-methoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31836951

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate (CID 55775432) is methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)CCCC1.
What is the InChIKey of methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate?
The InChIKey is ZPXIGEYOZZTNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO5/c1-24-18(23)19(10-2-3-11-19)21-17(22)16-9-8-15(26-16)12-25-14-6-4-13(20)5-7-14/h4-9H,2-3,10-12H2,1H3,(H,21,22).
What are the key properties of methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 422.28 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55775432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).