2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide

C12H15Cl2NO — CID 110486765

IUPAC2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-8(2)7-15-12(16)5-9-3-10(13)6-11(14)4-9/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)
InChIKeyRFZVNIUBYJAWAW-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.31
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide

2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide (PubChem CID 110486765) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide
PubChem CID110486765
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO/c1-8(2)7-15-12(16)5-9-3-10(13)6-11(14)4-9/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)
InChIKeyRFZVNIUBYJAWAW-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112687782
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3138298
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
CID 23967386
2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
2-(3-chlorophenyl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447713
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide (CID 110486765) is 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide?
The InChIKey is RFZVNIUBYJAWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(2)7-15-12(16)5-9-3-10(13)6-11(14)4-9/h3-4,6,8H,5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide?
2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide has a molecular weight of 260.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 110486765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).