N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide

C18H21ClN2O — CID 109006812

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
SMILESCc1cc(C)cc(NCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O/c1-13-8-14(2)10-17(9-13)21-12-18(22)20-7-6-15-4-3-5-16(19)11-15/h3-5,8-11,21H,6-7,12H2,1-2H3,(H,20,22)
InChIKeyLTYCOFDWYBNOPY-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide

N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide (PubChem CID 109006812) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
PubChem CID109006812
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
SMILESCc1cc(C)cc(NCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O/c1-13-8-14(2)10-17(9-13)21-12-18(22)20-7-6-15-4-3-5-16(19)11-15/h3-5,8-11,21H,6-7,12H2,1-2H3,(H,20,22)
InChIKeyLTYCOFDWYBNOPY-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

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996547
N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109006861
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 26569763
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide (CID 109006812) is N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide is Cc1cc(C)cc(NCC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide?
The InChIKey is LTYCOFDWYBNOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-8-14(2)10-17(9-13)21-12-18(22)20-7-6-15-4-3-5-16(19)11-15/h3-5,8-11,21H,6-7,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)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 N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide is sourced from PubChem (CID 109006812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).