3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide

C17H16Cl2N2O3 — CID 42949112

IUPAC3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(OCC(N)=O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-10(14-6-5-12(18)8-15(14)19)21-17(23)11-3-2-4-13(7-11)24-9-16(20)22/h2-8,10H,9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyNRMZDIORLAKHJS-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.35
Rot. Bonds6

About 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide

3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide (PubChem CID 42949112) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
PubChem CID42949112
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(OCC(N)=O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-10(14-6-5-12(18)8-15(14)19)21-17(23)11-3-2-4-13(7-11)24-9-16(20)22/h2-8,10H,9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyNRMZDIORLAKHJS-UHFFFAOYSA-N
XLogP3.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide
CID 11236581
N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide
CID 11351714
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(propan-2-yl)piperidin-4-yl]methyl}benzamide
CID 11465752
3-[2-[[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]benzamide
CID 132247308
2-chloro-N-(2-phenoxyethyl)benzamide
CID 602767
2-chloro-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 602768
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[3-(piperidin-1-yl)propyl]benzamide
CID 11213445
N-[(1-cyclohexylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 11226153
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[2-(piperidin-1-yl)ethyl]benzamide
CID 11408346
N-{[4-(aminomethyl)cyclohexyl]methyl}-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 11419907
N-[(1-cycloheptylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 11455413
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 11752478

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide (CID 42949112) is 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide is CC(NC(=O)c1cccc(OCC(N)=O)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is NRMZDIORLAKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-10(14-6-5-12(18)8-15(14)19)21-17(23)11-3-2-4-13(7-11)24-9-16(20)22/h2-8,10H,9H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 367.23 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 42949112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).