2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid

C15H13Cl2NO5 — CID 10109019

IUPAC2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid
SMILESCOC(=O)c1cc(C(Nc2cc(Cl)cc(Cl)c2)C(=O)O)oc1C
InChIInChI=1S/C15H13Cl2NO5/c1-7-11(15(21)22-2)6-12(23-7)13(14(19)20)18-10-4-8(16)3-9(17)5-10/h3-6,13,18H,1-2H3,(H,19,20)
InChIKeyZGIHRUOGXVDVPV-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.92
Rot. Bonds5

About 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid

2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid (PubChem CID 10109019) has the molecular formula C15H13Cl2NO5 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid
PubChem CID10109019
Molecular FormulaC15H13Cl2NO5
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid
SMILESCOC(=O)c1cc(C(Nc2cc(Cl)cc(Cl)c2)C(=O)O)oc1C
InChIInChI=1S/C15H13Cl2NO5/c1-7-11(15(21)22-2)6-12(23-7)13(14(19)20)18-10-4-8(16)3-9(17)5-10/h3-6,13,18H,1-2H3,(H,19,20)
InChIKeyZGIHRUOGXVDVPV-UHFFFAOYSA-N
XLogP3.92
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid?
The IUPAC name of 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid (CID 10109019) is 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid?
The canonical SMILES for 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid is COC(=O)c1cc(C(Nc2cc(Cl)cc(Cl)c2)C(=O)O)oc1C.
What is the InChIKey of 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid?
The InChIKey is ZGIHRUOGXVDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5/c1-7-11(15(21)22-2)6-12(23-7)13(14(19)20)18-10-4-8(16)3-9(17)5-10/h3-6,13,18H,1-2H3,(H,19,20).
What are the key properties of 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid?
2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid has a molecular weight of 358.18 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-2-(4-methoxycarbonyl-5-methylfuran-2-yl)acetic acid is sourced from PubChem (CID 10109019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).