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

C14H11Cl2NO5 — CID 126213765

IUPAC2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H11Cl2NO5/c15-8-1-3-11(10(16)5-8)21-7-9-2-4-12(22-9)14(20)17-6-13(18)19/h1-5H,6-7H2,(H,17,20)(H,18,19)
InChIKeyWQMDXSMBCIZHEU-UHFFFAOYSA-N
MW344.15 g/mol
LogP2.98
Rot. Bonds6

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

2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid (PubChem CID 126213765) has the molecular formula C14H11Cl2NO5 and a molecular weight of 344.15 g/mol. Its IUPAC name is 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
PubChem CID126213765
Molecular FormulaC14H11Cl2NO5
Molecular Weight344.15 g/mol
Exact Mass343.00
IUPAC Name2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H11Cl2NO5/c15-8-1-3-11(10(16)5-8)21-7-9-2-4-12(22-9)14(20)17-6-13(18)19/h1-5H,6-7H2,(H,17,20)(H,18,19)
InChIKeyWQMDXSMBCIZHEU-UHFFFAOYSA-N
XLogP2.98
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 126203909
methyl 2-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19453002
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463856
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
CID 950139
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19330046
5-[(2-chlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753482

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid (CID 126213765) is 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid?
The InChIKey is WQMDXSMBCIZHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO5/c15-8-1-3-11(10(16)5-8)21-7-9-2-4-12(22-9)14(20)17-6-13(18)19/h1-5H,6-7H2,(H,17,20)(H,18,19).
What are the key properties of 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid?
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid has a molecular weight of 344.15 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 126213765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).