2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide

C18H20ClN3O2 — CID 109006850

IUPAC2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)22-17-7-3-6-16(11-17)21-12-18(24)20-9-8-14-4-2-5-15(19)10-14/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyIXORPPHADLDWTG-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.07
Rot. Bonds7

About 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide

2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide (PubChem CID 109006850) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
PubChem CID109006850
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)22-17-7-3-6-16(11-17)21-12-18(24)20-9-8-14-4-2-5-15(19)10-14/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyIXORPPHADLDWTG-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

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Related Compounds

N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
CID 109006882
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
2-(3-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347237
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109006861

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide (CID 109006850) is 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide is CC(=O)Nc1cccc(NCC(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is IXORPPHADLDWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(23)22-17-7-3-6-16(11-17)21-12-18(24)20-9-8-14-4-2-5-15(19)10-14/h2-7,10-11,21H,8-9,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide?
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]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 2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 109006850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).