4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide

C18H19ClN2O3 — CID 2679907

IUPAC4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(2,24-15-10-6-13(19)7-11-15)17(23)21-14-8-4-12(5-9-14)16(22)20-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyMQVSEYZCPIJRLF-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.50
Rot. Bonds5

About 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide

4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide (PubChem CID 2679907) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
PubChem CID2679907
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-18(2,24-15-10-6-13(19)7-11-15)17(23)21-14-8-4-12(5-9-14)16(22)20-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyMQVSEYZCPIJRLF-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-cyclopentylbenzamide
CID 55820274
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide
CID 4812516
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide
CID 17314078
2-(4-chlorophenoxy)-2-methyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 100518219
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 100518354
2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17335046
2-(4-chlorophenoxy)-2-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 78890225
N-[4-(butanoylamino)-3-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 30309064

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide (CID 2679907) is 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide?
The InChIKey is MQVSEYZCPIJRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-18(2,24-15-10-6-13(19)7-11-15)17(23)21-14-8-4-12(5-9-14)16(22)20-3/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide?
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.50, 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]-N-methylbenzamide is sourced from PubChem (CID 2679907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).