N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide

C19H21ClN2O3 — CID 112998279

IUPACN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-13-10-14(2)19(16(20)11-13)22-18(24)12-21-17(23)8-9-25-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIDJVXAXSUQFZBE-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide

N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide (PubChem CID 112998279) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
PubChem CID112998279
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-13-10-14(2)19(16(20)11-13)22-18(24)12-21-17(23)8-9-25-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIDJVXAXSUQFZBE-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide 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

N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139489
methyl 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542013
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
3-(2,5-dimethylphenoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 43009894
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-phenoxybutanoate
CID 7186295

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide (CID 112998279) is N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide is Cc1cc(C)c(NC(=O)CNC(=O)CCOc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide?
The InChIKey is IDJVXAXSUQFZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-10-14(2)19(16(20)11-13)22-18(24)12-21-17(23)8-9-25-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide?
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide has a molecular weight of 360.84 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-3-phenoxypropanamide is sourced from PubChem (CID 112998279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).