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

C17H17ClN2O3 — CID 2631997

IUPAC4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-20(2)17(22)12-7-9-13(10-8-12)19-16(21)11-23-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyLFQBKEXWIINIBJ-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.06
Rot. Bonds5

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

4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 2631997) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID2631997
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-20(2)17(22)12-7-9-13(10-8-12)19-16(21)11-23-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyLFQBKEXWIINIBJ-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7764243
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434890
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
3-methylbutyl 4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 985948
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609973
2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 38107413
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221731

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 2631997) is 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is LFQBKEXWIINIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-20(2)17(22)12-7-9-13(10-8-12)19-16(21)11-23-15-6-4-3-5-14(15)18/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 332.79 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 2631997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).