N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide

C19H21ClN2O3 — CID 113057322

IUPACN-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=O)N(CCNC(=O)COc1ccc(Cl)cc1)c1ccccc1C
InChIInChI=1S/C19H21ClN2O3/c1-14-5-3-4-6-18(14)22(15(2)23)12-11-21-19(24)13-25-17-9-7-16(20)8-10-17/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyVDZXNKIADPCKQY-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide

N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 113057322) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
PubChem CID113057322
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
SMILESCC(=O)N(CCNC(=O)COc1ccc(Cl)cc1)c1ccccc1C
InChIInChI=1S/C19H21ClN2O3/c1-14-5-3-4-6-18(14)22(15(2)23)12-11-21-19(24)13-25-17-9-7-16(20)8-10-17/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyVDZXNKIADPCKQY-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
CID 113063953
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113052275
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113053780
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113123573
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113057798

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide (CID 113057322) is N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide is CC(=O)N(CCNC(=O)COc1ccc(Cl)cc1)c1ccccc1C.
What is the InChIKey of N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is VDZXNKIADPCKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-14-5-3-4-6-18(14)22(15(2)23)12-11-21-19(24)13-25-17-9-7-16(20)8-10-17/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide?
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 113057322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).