5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C18H20ClNO6 — CID 119226848

IUPAC5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCCOc1c(Cl)cc(C(=O)NCc2cc(C(=O)O)c(C)o2)cc1OC
InChIInChI=1S/C18H20ClNO6/c1-4-5-25-16-14(19)6-11(7-15(16)24-3)17(21)20-9-12-8-13(18(22)23)10(2)26-12/h6-8H,4-5,9H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyRIMKNVNAXJSNEW-UHFFFAOYSA-N
MW381.81 g/mol
LogP3.67
Rot. Bonds8

About 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226848) has the molecular formula C18H20ClNO6 and a molecular weight of 381.81 g/mol. Its IUPAC name is 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226848
Molecular FormulaC18H20ClNO6
Molecular Weight381.81 g/mol
Exact Mass381.10
IUPAC Name5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCCCOc1c(Cl)cc(C(=O)NCc2cc(C(=O)O)c(C)o2)cc1OC
InChIInChI=1S/C18H20ClNO6/c1-4-5-25-16-14(19)6-11(7-15(16)24-3)17(21)20-9-12-8-13(18(22)23)10(2)26-12/h6-8H,4-5,9H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyRIMKNVNAXJSNEW-UHFFFAOYSA-N
XLogP3.67
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
5-[[(4-butoxy-3-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226761
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
5-[[(5,6-dichloropyridine-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024449
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226848) is 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is CCCOc1c(Cl)cc(C(=O)NCc2cc(C(=O)O)c(C)o2)cc1OC.
What is the InChIKey of 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is RIMKNVNAXJSNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO6/c1-4-5-25-16-14(19)6-11(7-15(16)24-3)17(21)20-9-12-8-13(18(22)23)10(2)26-12/h6-8H,4-5,9H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 381.81 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).