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

C18H21ClN2O — CID 109006709

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCCc2cccc(Cl)c2)cc1C
InChIInChI=1S/C18H21ClN2O/c1-13-6-7-17(10-14(13)2)21-18(22)12-20-9-8-15-4-3-5-16(19)11-15/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22)
InChIKeyDTZWPPMMLFNTIO-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.73
Rot. Bonds6

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

2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 109006709) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID109006709
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCCc2cccc(Cl)c2)cc1C
InChIInChI=1S/C18H21ClN2O/c1-13-6-7-17(10-14(13)2)21-18(22)12-20-9-8-15-4-3-5-16(19)11-15/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22)
InChIKeyDTZWPPMMLFNTIO-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
methyl 4-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
CID 59991850
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
CID 116643821
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
CID 109006759
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide (CID 109006709) is 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CNCCc2cccc(Cl)c2)cc1C.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is DTZWPPMMLFNTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-6-7-17(10-14(13)2)21-18(22)12-20-9-8-15-4-3-5-16(19)11-15/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide?
2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 109006709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).