N-(2,3-dichlorophenyl)-2-ethylbutanamide

C12H15Cl2NO — CID 882132

IUPACN-(2,3-dichlorophenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-8(4-2)12(16)15-10-7-5-6-9(13)11(10)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyFRVKIIPNBFALJL-UHFFFAOYSA-N
MW260.16 g/mol
LogP4.37
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-ethylbutanamide

N-(2,3-dichlorophenyl)-2-ethylbutanamide (PubChem CID 882132) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-ethylbutanamide
PubChem CID882132
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-(2,3-dichlorophenyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO/c1-3-8(4-2)12(16)15-10-7-5-6-9(13)11(10)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyFRVKIIPNBFALJL-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-ethylbutanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-ethylbutanamide (CID 882132) is N-(2,3-dichlorophenyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-ethylbutanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-ethylbutanamide?
The InChIKey is FRVKIIPNBFALJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-8(4-2)12(16)15-10-7-5-6-9(13)11(10)14/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(2,3-dichlorophenyl)-2-ethylbutanamide?
N-(2,3-dichlorophenyl)-2-ethylbutanamide has a molecular weight of 260.16 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-ethylbutanamide is sourced from PubChem (CID 882132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).