N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide

C17H19ClN2O2 — CID 78792966

IUPACN-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-3-22-14-7-5-13(6-8-14)19-11-17(21)20-16-9-4-12(2)10-15(16)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyRAJDERQMDNMFDX-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.10
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide (PubChem CID 78792966) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
PubChem CID78792966
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-3-22-14-7-5-13(6-8-14)19-11-17(21)20-16-9-4-12(2)10-15(16)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyRAJDERQMDNMFDX-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
2-(3-chloro-4-fluoroanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9099592
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821175
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide (CID 78792966) is N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide is CCOc1ccc(NCC(=O)Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide?
The InChIKey is RAJDERQMDNMFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-22-14-7-5-13(6-8-14)19-11-17(21)20-16-9-4-12(2)10-15(16)18/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide has a molecular weight of 318.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4-ethoxyanilino)acetamide is sourced from PubChem (CID 78792966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).