2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide

C17H19ClN2O4 — CID 4575448

IUPAC2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COCC(=O)Nc2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C17H19ClN2O4/c1-11-3-5-13(7-15(11)18)20-17(22)10-23-9-16(21)19-8-14-6-4-12(2)24-14/h3-7H,8-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJDXHUFXBKMMTAK-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.82
Rot. Bonds7

About 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 4575448) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID4575448
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COCC(=O)Nc2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C17H19ClN2O4/c1-11-3-5-13(7-15(11)18)20-17(22)10-23-9-16(21)19-8-14-6-4-12(2)24-14/h3-7H,8-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJDXHUFXBKMMTAK-UHFFFAOYSA-N
XLogP2.82
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetamide
CID 5195228
2-chloro-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 62524083
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-(3-chloro-4-methylphenyl)-2-[2-oxo-2-[2-(3-phenylpropanoyl)hydrazinyl]ethoxy]acetamide
CID 3383669
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 4591298
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
CID 112605133
N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
CID 95346415
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235492
N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587398
2-[4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126272760
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 4575448) is 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)COCC(=O)Nc2ccc(C)c(Cl)c2)o1.
What is the InChIKey of 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is JDXHUFXBKMMTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-11-3-5-13(7-15(11)18)20-17(22)10-23-9-16(21)19-8-14-6-4-12(2)24-14/h3-7H,8-10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 350.80 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 4575448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).