methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate

C15H13Cl2NO5 — CID 19456933

IUPACmethyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H13Cl2NO5/c1-21-14(19)7-18-15(20)13-5-3-10(23-13)8-22-12-4-2-9(16)6-11(12)17/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyJVRLUWGVPAEULA-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.07
Rot. Bonds6

About methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate

methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate (PubChem CID 19456933) has the molecular formula C15H13Cl2NO5 and a molecular weight of 358.18 g/mol. Its IUPAC name is methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
PubChem CID19456933
Molecular FormulaC15H13Cl2NO5
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Namemethyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C15H13Cl2NO5/c1-21-14(19)7-18-15(20)13-5-3-10(23-13)8-22-12-4-2-9(16)6-11(12)17/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyJVRLUWGVPAEULA-UHFFFAOYSA-N
XLogP3.07
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
methyl 2-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19465918
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456728
5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463856
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
methyl 2-amino-3-[5-[(2,4-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170883920

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate (CID 19456933) is methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate?
The InChIKey is JVRLUWGVPAEULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5/c1-21-14(19)7-18-15(20)13-5-3-10(23-13)8-22-12-4-2-9(16)6-11(12)17/h2-6H,7-8H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate?
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate has a molecular weight of 358.18 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate is sourced from PubChem (CID 19456933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).