4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide

C18H20ClN3O3 — CID 9252422

IUPAC4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20ClN3O3/c1-22(10-11-25-16-8-4-14(19)5-9-16)12-17(23)21-15-6-2-13(3-7-15)18(20)24/h2-9H,10-12H2,1H3,(H2,20,24)(H,21,23)
InChIKeyNXSBOSRLJYMPBZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.39
Rot. Bonds8

About 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide

4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide (PubChem CID 9252422) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
PubChem CID9252422
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
SMILESCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H20ClN3O3/c1-22(10-11-25-16-8-4-14(19)5-9-16)12-17(23)21-15-6-2-13(3-7-15)18(20)24/h2-9H,10-12H2,1H3,(H2,20,24)(H,21,23)
InChIKeyNXSBOSRLJYMPBZ-UHFFFAOYSA-N
XLogP2.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide 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

methyl 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzoate
CID 27250238
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(4-nitrophenyl)acetamide
CID 4824875
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 9252524
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[2-(4-chlorophenoxy)ethyl-methylamino]acetamide
CID 24506838
N-[4-[2-[2-(4-chlorophenoxy)ethyl-methylamino]propanoyl]phenyl]acetamide
CID 42911596
4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 46683346
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide (CID 9252422) is 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide is CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide?
The InChIKey is NXSBOSRLJYMPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-22(10-11-25-16-8-4-14(19)5-9-16)12-17(23)21-15-6-2-13(3-7-15)18(20)24/h2-9H,10-12H2,1H3,(H2,20,24)(H,21,23).
What are the key properties of 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide?
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide has a molecular weight of 361.83 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 9252422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).