[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

C21H18ClNO5 — CID 7468764

IUPAC[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H18ClNO5/c1-14-17(22)8-5-9-18(14)23-20(24)13-27-21(25)19-11-10-16(28-19)12-26-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyONDIIVHRTIHUOJ-UHFFFAOYSA-N
MW399.83 g/mol
LogP4.62
Rot. Bonds7

About [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 7468764) has the molecular formula C21H18ClNO5 and a molecular weight of 399.83 g/mol. Its IUPAC name is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID7468764
Molecular FormulaC21H18ClNO5
Molecular Weight399.83 g/mol
Exact Mass399.09
IUPAC Name[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESCc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H18ClNO5/c1-14-17(22)8-5-9-18(14)23-20(24)13-27-21(25)19-11-10-16(28-19)12-26-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyONDIIVHRTIHUOJ-UHFFFAOYSA-N
XLogP4.62
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468770
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468795
5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 20993932
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 8511107
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
[2-(3-fluoroanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468702
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31958862
[2-(2-methoxyethylamino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7892996
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485087
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 7468764) is [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is ONDIIVHRTIHUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO5/c1-14-17(22)8-5-9-18(14)23-20(24)13-27-21(25)19-11-10-16(28-19)12-26-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,23,24).
What are the key properties of [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 399.83 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 7468764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).