N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide

C12H14Cl2N2O2 — CID 47097183

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-7(2)12(18)15-6-11(17)16-10-5-8(13)3-4-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLAYYHNWULZGAHP-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide (PubChem CID 47097183) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
PubChem CID47097183
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-7(2)12(18)15-6-11(17)16-10-5-8(13)3-4-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLAYYHNWULZGAHP-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
CID 47097189
(2S)-2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119268231
N-(2,5-dichlorophenyl)-2-(2-methylpropylamino)acetamide
CID 108993299
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
CID 64993936
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7936906
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54819782
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9306788
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 62964001

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide (CID 47097183) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is LAYYHNWULZGAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7(2)12(18)15-6-11(17)16-10-5-8(13)3-4-9(10)14/h3-5,7H,6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 289.16 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 47097183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).