N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide

C17H18Cl2N2O3 — CID 54829747

IUPACN-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O3/c1-23-5-6-24-16-4-2-3-14(10-16)20-11-17(22)21-15-8-12(18)7-13(19)9-15/h2-4,7-10,20H,5-6,11H2,1H3,(H,21,22)
InChIKeyQBIABBHUUCTXOZ-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.07
Rot. Bonds8

About N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide

N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide (PubChem CID 54829747) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
PubChem CID54829747
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC NameN-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O3/c1-23-5-6-24-16-4-2-3-14(10-16)20-11-17(22)21-15-8-12(18)7-13(19)9-15/h2-4,7-10,20H,5-6,11H2,1H3,(H,21,22)
InChIKeyQBIABBHUUCTXOZ-UHFFFAOYSA-N
XLogP4.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.07
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-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-(4-chlorophenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827734
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54817060
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029713
N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829431
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide (CID 54829747) is N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide is COCCOc1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The InChIKey is QBIABBHUUCTXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-23-5-6-24-16-4-2-3-14(10-16)20-11-17(22)21-15-8-12(18)7-13(19)9-15/h2-4,7-10,20H,5-6,11H2,1H3,(H,21,22).
What are the key properties of N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide has a molecular weight of 369.25 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54829747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).