5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

C18H20ClNO5 — CID 119222809

IUPAC5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(Cl)ccc2OC(C)C)cc1C(=O)O
InChIInChI=1S/C18H20ClNO5/c1-10(2)24-16-6-5-12(19)7-15(16)17(21)20(4)9-13-8-14(18(22)23)11(3)25-13/h5-8,10H,9H2,1-4H3,(H,22,23)
InChIKeyFLCJHVIBAFDHDH-UHFFFAOYSA-N
MW365.81 g/mol
LogP4.00
Rot. Bonds6

About 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119222809) has the molecular formula C18H20ClNO5 and a molecular weight of 365.81 g/mol. Its IUPAC name is 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119222809
Molecular FormulaC18H20ClNO5
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC Name5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)c2cc(Cl)ccc2OC(C)C)cc1C(=O)O
InChIInChI=1S/C18H20ClNO5/c1-10(2)24-16-6-5-12(19)7-15(16)17(21)20(4)9-13-8-14(18(22)23)11(3)25-13/h5-8,10H,9H2,1-4H3,(H,22,23)
InChIKeyFLCJHVIBAFDHDH-UHFFFAOYSA-N
XLogP4.00
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119222809) is 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN(C)C(=O)c2cc(Cl)ccc2OC(C)C)cc1C(=O)O.
What is the InChIKey of 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is FLCJHVIBAFDHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5/c1-10(2)24-16-6-5-12(19)7-15(16)17(21)20(4)9-13-8-14(18(22)23)11(3)25-13/h5-8,10H,9H2,1-4H3,(H,22,23).
What are the key properties of 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 365.81 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloro-2-propan-2-yloxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119222809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).