N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide

C11H12Cl3NO — CID 114296344

IUPACN-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
SMILESCC(Cl)CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl3NO/c1-7(12)6-15-11(16)5-8-2-3-9(13)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyJHHDEUPUXCERRT-UHFFFAOYSA-N
MW280.58 g/mol
LogP3.28
Rot. Bonds4

About N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide

N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 114296344) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID114296344
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC NameN-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
SMILESCC(Cl)CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl3NO/c1-7(12)6-15-11(16)5-8-2-3-9(13)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyJHHDEUPUXCERRT-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81485987
methyl 2-chloro-3-[[2-(3,4-dichlorophenyl)acetyl]amino]propanoate
CID 103492991
2-[[[2-(3,4-dichlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220573
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium
CID 8916186
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
2-[(S)-(3,4-dichlorophenyl)methylsulfinyl]-N-(2-methylpropyl)acetamide
CID 95303463
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
3-(3,4-dichlorophenyl)-N-[2-(methylamino)propyl]propanamide
CID 120831265
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide (CID 114296344) is N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide is CC(Cl)CNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is JHHDEUPUXCERRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-7(12)6-15-11(16)5-8-2-3-9(13)10(14)4-8/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide?
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 280.58 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 114296344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).