3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide

C20H23ClN2O3 — CID 17194482

IUPAC3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C20H23ClN2O3/c1-4-23(5-2)20(25)15-7-6-8-16(12-15)22-19(24)13-26-17-9-10-18(21)14(3)11-17/h6-12H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyUCKYTMBXSKHCGC-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.15
Rot. Bonds7

About 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide

3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 17194482) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID17194482
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C20H23ClN2O3/c1-4-23(5-2)20(25)15-7-6-8-16(12-15)22-19(24)13-26-17-9-10-18(21)14(3)11-17/h6-12H,4-5,13H2,1-3H3,(H,22,24)
InChIKeyUCKYTMBXSKHCGC-UHFFFAOYSA-N
XLogP4.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide with MolForge

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Related Compounds

3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
CID 8648051
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158805
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 46761769
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940764

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 17194482) is 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is UCKYTMBXSKHCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-4-23(5-2)20(25)15-7-6-8-16(12-15)22-19(24)13-26-17-9-10-18(21)14(3)11-17/h6-12H,4-5,13H2,1-3H3,(H,22,24).
What are the key properties of 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide?
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 374.87 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 17194482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).