3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide

C20H23ClN2O3 — CID 55773964

IUPAC3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COCc2ccccc2Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-3-23(4-2)20(25)15-9-7-10-17(12-15)22-19(24)14-26-13-16-8-5-6-11-18(16)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyQPDVOOPIQAMXKM-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.98
Rot. Bonds8

About 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide

3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide (PubChem CID 55773964) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide
PubChem CID55773964
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COCc2ccccc2Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-3-23(4-2)20(25)15-9-7-10-17(12-15)22-19(24)14-26-13-16-8-5-6-11-18(16)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyQPDVOOPIQAMXKM-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-[(2-chlorophenyl)methoxy]acetamide
CID 51086475
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenoxypropanoate
CID 9348351
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290674
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007671
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide (CID 55773964) is 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)COCc2ccccc2Cl)c1.
What is the InChIKey of 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is QPDVOOPIQAMXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-3-23(4-2)20(25)15-9-7-10-17(12-15)22-19(24)14-26-13-16-8-5-6-11-18(16)21/h5-12H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide?
3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 374.87 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 55773964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).