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

C16H15Cl3N2O — CID 109006882

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H15Cl3N2O/c17-12-3-1-2-11(6-12)4-5-20-16(22)10-21-15-8-13(18)7-14(19)9-15/h1-3,6-9,21H,4-5,10H2,(H,20,22)
InChIKeyODWSLODKAMVCQU-UHFFFAOYSA-N
MW357.67 g/mol
LogP4.42
Rot. Bonds6

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

N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide (PubChem CID 109006882) has the molecular formula C16H15Cl3N2O and a molecular weight of 357.67 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
PubChem CID109006882
Molecular FormulaC16H15Cl3N2O
Molecular Weight357.67 g/mol
Exact Mass356.02
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H15Cl3N2O/c17-12-3-1-2-11(6-12)4-5-20-16(22)10-21-15-8-13(18)7-14(19)9-15/h1-3,6-9,21H,4-5,10H2,(H,20,22)
InChIKeyODWSLODKAMVCQU-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.67
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812
2-(3-acetamidoanilino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 109006850
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
N-[2-(3-chlorophenyl)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109006861
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694067
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112995856

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide (CID 109006882) is N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide is O=C(CNc1cc(Cl)cc(Cl)c1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide?
The InChIKey is ODWSLODKAMVCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O/c17-12-3-1-2-11(6-12)4-5-20-16(22)10-21-15-8-13(18)7-14(19)9-15/h1-3,6-9,21H,4-5,10H2,(H,20,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dichloroanilino)acetamide has a molecular weight of 357.67 g/mol, XLogP of 4.42, 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-dichloroanilino)acetamide is sourced from PubChem (CID 109006882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).