2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide

C23H22Cl2N2O2 — CID 54813100

IUPAC2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C23H22Cl2N2O2/c24-18-13-19(25)15-20(14-18)26-16-23(28)27-21-10-4-5-11-22(21)29-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,13-15,26H,6,9,12,16H2,(H,27,28)
InChIKeyITDVGJYZXOMGFZ-UHFFFAOYSA-N
MW429.35 g/mol
LogP6.06
Rot. Bonds9

About 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide

2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54813100) has the molecular formula C23H22Cl2N2O2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54813100
Molecular FormulaC23H22Cl2N2O2
Molecular Weight429.35 g/mol
Exact Mass428.11
IUPAC Name2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C23H22Cl2N2O2/c24-18-13-19(25)15-20(14-18)26-16-23(28)27-21-10-4-5-11-22(21)29-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,13-15,26H,6,9,12,16H2,(H,27,28)
InChIKeyITDVGJYZXOMGFZ-UHFFFAOYSA-N
XLogP6.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-(3,5-dichloroanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54813306
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
N-[2-(3-phenylpropoxy)phenyl]-2-(4-prop-2-enoxyanilino)acetamide
CID 54821479
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide (CID 54813100) is 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide is O=C(CNc1cc(Cl)cc(Cl)c1)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is ITDVGJYZXOMGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O2/c24-18-13-19(25)15-20(14-18)26-16-23(28)27-21-10-4-5-11-22(21)29-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,13-15,26H,6,9,12,16H2,(H,27,28).
What are the key properties of 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide?
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 429.35 g/mol, XLogP of 6.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54813100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).