5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide

C17H23ClN2O3 — CID 50963092

IUPAC5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C2CCOC(C)(C)C2)c1
InChIInChI=1S/C17H23ClN2O3/c1-11(21)19-12-5-6-15(18)14(9-12)16(22)20(4)13-7-8-23-17(2,3)10-13/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,21)
InChIKeyZGEFZMBHRMAFQG-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.33
Rot. Bonds3

About 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide

5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide (PubChem CID 50963092) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide.

Molecular Properties

Compound Name5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide
PubChem CID50963092
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C2CCOC(C)(C)C2)c1
InChIInChI=1S/C17H23ClN2O3/c1-11(21)19-12-5-6-15(18)14(9-12)16(22)20(4)13-7-8-23-17(2,3)10-13/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,21)
InChIKeyZGEFZMBHRMAFQG-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-difluorophenyl)-1-(2,2-dimethyloxan-4-yl)-1-methylurea
CID 118783191
3-(3,5-difluorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-methylurea
CID 125164887
N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 91835511
2-chloro-5-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 61202978
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
CID 97444759
N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide
CID 119071469
3-[(5-acetamido-2-chlorobenzoyl)-methylamino]propanoic acid
CID 119362546
5-(tert-butylcarbamoylamino)-2-chloro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551027
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
2-chloro-5-(3,3-dimethylbutanoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554824
5-acetamido-N-(1-adamantyl)-2-chlorobenzamide
CID 50957907
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide?
The IUPAC name of 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide (CID 50963092) is 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide.
What is the SMILES notation for 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide?
The canonical SMILES for 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide is CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C2CCOC(C)(C)C2)c1.
What is the InChIKey of 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide?
The InChIKey is ZGEFZMBHRMAFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11(21)19-12-5-6-15(18)14(9-12)16(22)20(4)13-7-8-23-17(2,3)10-13/h5-6,9,13H,7-8,10H2,1-4H3,(H,19,21).
What are the key properties of 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide?
5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide has a molecular weight of 338.84 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide is sourced from PubChem (CID 50963092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).