N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide

C19H23ClN2O2 — CID 54820101

IUPACN-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-13(2)12-24-17-8-6-15(7-9-17)21-11-19(23)22-16-5-4-14(3)18(20)10-16/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyFRJYOJMJPLOBJL-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.73
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide

N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide (PubChem CID 54820101) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
PubChem CID54820101
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-13(2)12-24-17-8-6-15(7-9-17)21-11-19(23)22-16-5-4-14(3)18(20)10-16/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyFRJYOJMJPLOBJL-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.73
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

N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide
CID 54816614
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54819041
N-(4-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815837
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-chloro-N-cyclohexyl-5-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54833187

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide (CID 54820101) is N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide is Cc1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The InChIKey is FRJYOJMJPLOBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13(2)12-24-17-8-6-15(7-9-17)21-11-19(23)22-16-5-4-14(3)18(20)10-16/h4-10,13,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide has a molecular weight of 346.86 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54820101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).