2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide

C18H19ClN2O4 — CID 110314454

IUPAC2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-21(2)18(23)13-9-8-12(10-14(13)19)20-17(22)11-25-16-7-5-4-6-15(16)24-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyZTYKRIPLVSAFOE-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.07
Rot. Bonds6

About 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide

2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 110314454) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID110314454
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4/c1-21(2)18(23)13-9-8-12(10-14(13)19)20-17(22)11-25-16-7-5-4-6-15(16)24-3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyZTYKRIPLVSAFOE-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 51193233
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide
CID 55863991
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113018928
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
N-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 3544904
2-chloro-4-[3-(2-chlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110633818
2-chloro-4-[3-(4-methoxyphenyl)propanoylamino]-N,N-dimethylbenzamide
CID 110314461
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 110314454) is 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide is COc1ccccc1OCC(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZTYKRIPLVSAFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-21(2)18(23)13-9-8-12(10-14(13)19)20-17(22)11-25-16-7-5-4-6-15(16)24-3/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 362.81 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(2-methoxyphenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 110314454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).