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

C11H11Cl2NO2 — CID 64996675

IUPAC2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-7(15)6-14-11(16)5-8-2-3-9(12)10(13)4-8/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyAYWKRLAHQUKPQI-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.24
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide (PubChem CID 64996675) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
PubChem CID64996675
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
SMILESCC(=O)CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-7(15)6-14-11(16)5-8-2-3-9(12)10(13)4-8/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyAYWKRLAHQUKPQI-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188
2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81485987
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
CID 55146750
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 8502117
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
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
1-(3,4-dichlorophenyl)-4-methylpent-3-en-2-one
CID 79190694

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide (CID 64996675) is 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide is CC(=O)CNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide?
The InChIKey is AYWKRLAHQUKPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-7(15)6-14-11(16)5-8-2-3-9(12)10(13)4-8/h2-4H,5-6H2,1H3,(H,14,16).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide?
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide has a molecular weight of 260.12 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 64996675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).