N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide

C17H19ClN2O3 — CID 54822618

IUPACN-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-22-10-11-23-16-8-6-14(7-9-16)19-12-17(21)20-15-4-2-13(18)3-5-15/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyVFIXVIWFYDJDSI-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.42
Rot. Bonds8

About N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide

N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide (PubChem CID 54822618) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
PubChem CID54822618
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-22-10-11-23-16-8-6-14(7-9-16)19-12-17(21)20-15-4-2-13(18)3-5-15/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyVFIXVIWFYDJDSI-UHFFFAOYSA-N
XLogP3.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822297
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
2-(4-chlorophenoxy)-N-[4-(2-methoxyethylamino)phenyl]acetamide
CID 112980930
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822163
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
CID 54810605
propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54813023

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide (CID 54822618) is N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide is COCCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide?
The InChIKey is VFIXVIWFYDJDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-22-10-11-23-16-8-6-14(7-9-16)19-12-17(21)20-15-4-2-13(18)3-5-15/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide?
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide has a molecular weight of 334.80 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54822618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).