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

C19H21ClN2O4 — CID 9022553

IUPAC4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(OCCNC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-2-25-16-7-9-17(10-8-16)26-12-11-21-18(23)13-22-19(24)14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeySPLHUBHCVJANGC-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.66
Rot. Bonds9

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

4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 9022553) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID9022553
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(OCCNC(=O)CNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-2-25-16-7-9-17(10-8-16)26-12-11-21-18(23)13-22-19(24)14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeySPLHUBHCVJANGC-UHFFFAOYSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.66
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

4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
4-butoxy-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 7971592
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 34998826

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide (CID 9022553) is 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide is CCOc1ccc(OCCNC(=O)CNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is SPLHUBHCVJANGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-2-25-16-7-9-17(10-8-16)26-12-11-21-18(23)13-22-19(24)14-3-5-15(20)6-4-14/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9022553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).