2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid

C16H16ClNO5 — CID 120531950

IUPAC2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
SMILESCCc1oc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)cc1C
InChIInChI=1S/C16H16ClNO5/c1-3-12-9(2)6-14(23-12)16(21)18-10-4-5-13(11(17)7-10)22-8-15(19)20/h4-7H,3,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMZOZZVCAUWCYCK-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.52
Rot. Bonds6

About 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid

2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid (PubChem CID 120531950) has the molecular formula C16H16ClNO5 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
PubChem CID120531950
Molecular FormulaC16H16ClNO5
Molecular Weight337.76 g/mol
Exact Mass337.07
IUPAC Name2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
SMILESCCc1oc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)cc1C
InChIInChI=1S/C16H16ClNO5/c1-3-12-9(2)6-14(23-12)16(21)18-10-4-5-13(11(17)7-10)22-8-15(19)20/h4-7H,3,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyMZOZZVCAUWCYCK-UHFFFAOYSA-N
XLogP3.52
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methoxyphenyl)-5-ethyl-4-methylfuran-2-carboxamide
CID 119419552
3-[[4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]benzoyl]amino]propanoic acid
CID 120523094
N-[3-chloro-4-(2-methylpropoxy)phenyl]-5-methylfuran-2-carboxamide
CID 37408098
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-5-methylsulfonylbenzoic acid
CID 120529439
N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
CID 167972284
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-4-methylbenzoic acid
CID 120522327
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)acetic acid
CID 67853868
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 129469734
N,5-diethyl-4-methylfuran-2-carboxamide
CID 130645001

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid (CID 120531950) is 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid is CCc1oc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)cc1C.
What is the InChIKey of 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is MZOZZVCAUWCYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5/c1-3-12-9(2)6-14(23-12)16(21)18-10-4-5-13(11(17)7-10)22-8-15(19)20/h4-7H,3,8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid?
2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 337.76 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(5-ethyl-4-methylfuran-2-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 120531950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).