4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide

C17H17ClN2O3 — CID 888392

IUPAC4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-17(2,23-14-9-5-12(18)6-10-14)16(22)20-13-7-3-11(4-8-13)15(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyYYIBXUIPZFPKSL-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.23
Rot. Bonds5

About 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide

4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide (PubChem CID 888392) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
PubChem CID888392
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-17(2,23-14-9-5-12(18)6-10-14)16(22)20-13-7-3-11(4-8-13)15(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyYYIBXUIPZFPKSL-UHFFFAOYSA-N
XLogP3.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide
CID 55820274
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chlorophenoxy)-2-methyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 100518219
2-(4-chlorophenoxy)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 982295
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
CID 55473008
2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17335046
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 100518354

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide (CID 888392) is 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide?
The InChIKey is YYIBXUIPZFPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-17(2,23-14-9-5-12(18)6-10-14)16(22)20-13-7-3-11(4-8-13)15(19)21/h3-10H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide?
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide has a molecular weight of 332.79 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide is sourced from PubChem (CID 888392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).