2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide

C20H24Cl2N2O2 — CID 54815954

IUPAC2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C20H24Cl2N2O2/c1-2-3-4-5-13-26-16-11-9-15(10-12-16)24-19(25)14-23-18-8-6-7-17(21)20(18)22/h6-12,23H,2-5,13-14H2,1H3,(H,24,25)
InChIKeyKCTHLHRAQVWGFA-UHFFFAOYSA-N
MW395.33 g/mol
LogP6.00
Rot. Bonds10

About 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide

2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide (PubChem CID 54815954) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide
PubChem CID54815954
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C20H24Cl2N2O2/c1-2-3-4-5-13-26-16-11-9-15(10-12-16)24-19(25)14-23-18-8-6-7-17(21)20(18)22/h6-12,23H,2-5,13-14H2,1H3,(H,24,25)
InChIKeyKCTHLHRAQVWGFA-UHFFFAOYSA-N
XLogP6.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 56.00
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-(2,3-dichloroanilino)-N-(4-propoxyphenyl)acetamide
CID 54815982
2-(2,3-dichloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54816061
N-(3-chloro-2-methylphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821866
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-(3-butoxyphenyl)-2-(3-chloro-2-methylanilino)acetamide
CID 54813009
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide (CID 54815954) is 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide is CCCCCCOc1ccc(NC(=O)CNc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide?
The InChIKey is KCTHLHRAQVWGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-2-3-4-5-13-26-16-11-9-15(10-12-16)24-19(25)14-23-18-8-6-7-17(21)20(18)22/h6-12,23H,2-5,13-14H2,1H3,(H,24,25).
What are the key properties of 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide?
2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide has a molecular weight of 395.33 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-(4-hexoxyphenyl)acetamide is sourced from PubChem (CID 54815954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).