3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide

C18H19ClN2O3 — CID 112993552

IUPAC3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(CCNC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-7-2-4-13(10-16)8-9-20-17(22)12-21-18(23)14-5-3-6-15(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQHBQEXUXHMYDKK-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.44
Rot. Bonds7

About 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide

3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 112993552) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID112993552
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(CCNC(=O)CNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-7-2-4-13(10-16)8-9-20-17(22)12-21-18(23)14-5-3-6-15(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQHBQEXUXHMYDKK-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993558
3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 78812366
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
3-chloro-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 78796639
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide (CID 112993552) is 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide is COc1cccc(CCNC(=O)CNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is QHBQEXUXHMYDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-16-7-2-4-13(10-16)8-9-20-17(22)12-21-18(23)14-5-3-6-15(19)11-14/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112993552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).