3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide

C18H19ClN2O4 — CID 24637931

IUPAC3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4/c1-24-15-5-7-16(8-6-15)25-10-9-20-17(22)12-21-18(23)13-3-2-4-14(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyKBIZBHMPPMYSQR-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.27
Rot. Bonds8

About 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide

3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 24637931) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID24637931
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(OCCNC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4/c1-24-15-5-7-16(8-6-15)25-10-9-20-17(22)12-21-18(23)13-3-2-4-14(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyKBIZBHMPPMYSQR-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
2-chloro-6-fluoro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 112994867
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide (CID 24637931) is 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide is COc1ccc(OCCNC(=O)CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is KBIZBHMPPMYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-15-5-7-16(8-6-15)25-10-9-20-17(22)12-21-18(23)13-3-2-4-14(19)11-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 362.81 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24637931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).