N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide

C18H20ClN3O2 — CID 109006756

IUPACN-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)21-16-5-7-17(8-6-16)22-18(24)12-20-10-9-14-3-2-4-15(19)11-14/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyTUCZHCLTXWBPCD-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.07
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide

N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide (PubChem CID 109006756) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
PubChem CID109006756
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)21-16-5-7-17(8-6-16)22-18(24)12-20-10-9-14-3-2-4-15(19)11-14/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyTUCZHCLTXWBPCD-UHFFFAOYSA-N
XLogP3.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.07
H-Bond Donors ≤ 53
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-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
CID 109006709
methyl 4-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
CID 59991850
N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
CID 155821876
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 39731212
ethyl 4-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108952593
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide (CID 109006756) is N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide is CC(=O)Nc1ccc(NC(=O)CNCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide?
The InChIKey is TUCZHCLTXWBPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(23)21-16-5-7-17(8-6-16)22-18(24)12-20-10-9-14-3-2-4-15(19)11-14/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide is sourced from PubChem (CID 109006756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).