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

C21H25ClN2O4 — CID 9474002

IUPAC2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(CCNC(=O)CNC(=O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C21H25ClN2O4/c1-3-27-18-10-9-15(13-19(18)28-4-2)11-12-23-20(25)14-24-21(26)16-7-5-6-8-17(16)22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyARLYIMIKIFVKSP-UHFFFAOYSA-N
MW404.89 g/mol
LogP3.23
Rot. Bonds10

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

2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 9474002) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID9474002
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(CCNC(=O)CNC(=O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C21H25ClN2O4/c1-3-27-18-10-9-15(13-19(18)28-4-2)11-12-23-20(25)14-24-21(26)16-7-5-6-8-17(16)22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyARLYIMIKIFVKSP-UHFFFAOYSA-N
XLogP3.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46612313
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 7758203
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43908360
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide (CID 9474002) is 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide is CCOc1ccc(CCNC(=O)CNC(=O)c2ccccc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is ARLYIMIKIFVKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-3-27-18-10-9-15(13-19(18)28-4-2)11-12-23-20(25)14-24-21(26)16-7-5-6-8-17(16)22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 404.89 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9474002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).