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

C12H14Cl2N2O2 — CID 113063828

IUPACN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-8(17)15-6-7-16(9(2)18)11-5-3-4-10(13)12(11)14/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKeyHLMWNSTVCDYZGW-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.48
Rot. Bonds4

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

N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide (PubChem CID 113063828) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
PubChem CID113063828
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-8(17)15-6-7-16(9(2)18)11-5-3-4-10(13)12(11)14/h3-5H,6-7H2,1-2H3,(H,15,17)
InChIKeyHLMWNSTVCDYZGW-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
3-(N-acetyl-2,3-dichloroanilino)-N-benzylpropanamide
CID 113134286
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide
CID 113180076
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
3-(N-acetyl-2,3-dichloroanilino)-N,N-dipropylpropanamide
CID 113134317
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide?
The IUPAC name of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide (CID 113063828) is N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide is CC(=O)NCCN(C(C)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide?
The InChIKey is HLMWNSTVCDYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-8(17)15-6-7-16(9(2)18)11-5-3-4-10(13)12(11)14/h3-5H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide?
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide has a molecular weight of 289.16 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide is sourced from PubChem (CID 113063828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).