methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate

C15H13ClFNO5 — CID 19453002

IUPACmethyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C15H13ClFNO5/c1-21-14(19)7-18-15(20)13-5-3-10(23-13)8-22-12-4-2-9(17)6-11(12)16/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyGYXWZLOUJUMESA-UHFFFAOYSA-N
MW341.72 g/mol
LogP2.55
Rot. Bonds6

About methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate

methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate (PubChem CID 19453002) has the molecular formula C15H13ClFNO5 and a molecular weight of 341.72 g/mol. Its IUPAC name is methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
PubChem CID19453002
Molecular FormulaC15H13ClFNO5
Molecular Weight341.72 g/mol
Exact Mass341.05
IUPAC Namemethyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1
InChIInChI=1S/C15H13ClFNO5/c1-21-14(19)7-18-15(20)13-5-3-10(23-13)8-22-12-4-2-9(17)6-11(12)16/h2-6H,7-8H2,1H3,(H,18,20)
InChIKeyGYXWZLOUJUMESA-UHFFFAOYSA-N
XLogP2.55
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
5-[(2-chloro-4-fluorophenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19452883
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279886
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19452910
methyl 2-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19465918
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19288482
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482
methyl 2-[[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456728
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19452984
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3-(4-chloropyrazol-1-yl)propyl]furan-2-carboxamide
CID 19330322

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate (CID 19453002) is methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate is COC(=O)CNC(=O)c1ccc(COc2ccc(F)cc2Cl)o1.
What is the InChIKey of methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate?
The InChIKey is GYXWZLOUJUMESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO5/c1-21-14(19)7-18-15(20)13-5-3-10(23-13)8-22-12-4-2-9(17)6-11(12)16/h2-6H,7-8H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate?
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate has a molecular weight of 341.72 g/mol, XLogP of 2.55, 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-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate is sourced from PubChem (CID 19453002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).