N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide

C18H21ClN2O3 — CID 54827734

IUPACN-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-2-23-10-11-24-17-5-3-4-16(12-17)20-13-18(22)21-15-8-6-14(19)7-9-15/h3-9,12,20H,2,10-11,13H2,1H3,(H,21,22)
InChIKeyRMOOXPUIVZJZHX-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.81
Rot. Bonds9

About N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide

N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide (PubChem CID 54827734) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
PubChem CID54827734
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
SMILESCCOCCOc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-2-23-10-11-24-17-5-3-4-16(12-17)20-13-18(22)21-15-8-6-14(19)7-9-15/h3-9,12,20H,2,10-11,13H2,1H3,(H,21,22)
InChIKeyRMOOXPUIVZJZHX-UHFFFAOYSA-N
XLogP3.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581
N-(3,4-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827735
N-[3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827552
2-(4-ethoxyanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54811569
2-(5-chloro-2-methylanilino)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 54819365
N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54827331
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-(2,3-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827324
N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
N-(3,5-dichlorophenyl)-2-[4-(2-ethoxyethoxy)anilino]acetamide
CID 54825678
2-[3-(2-ethoxyethoxy)anilino]-N-naphthalen-1-ylacetamide
CID 54827574

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide (CID 54827734) is N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide is CCOCCOc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide?
The InChIKey is RMOOXPUIVZJZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-2-23-10-11-24-17-5-3-4-16(12-17)20-13-18(22)21-15-8-6-14(19)7-9-15/h3-9,12,20H,2,10-11,13H2,1H3,(H,21,22).
What are the key properties of N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide?
N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54827734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).