N-acetyl-2-chloroacetamide

C4H6ClNO2 — CID 2366697

IUPACN-acetyl-2-chloroacetamide
SMILESCC(=O)NC(=O)CCl
InChIInChI=1S/C4H6ClNO2/c1-3(7)6-4(8)2-5/h2H2,1H3,(H,6,7,8)
InChIKeyAYETZOVOIOQESV-UHFFFAOYSA-N
MW135.55 g/mol
LogP-0.11
Rot. Bonds1

About N-acetyl-2-chloroacetamide

N-acetyl-2-chloroacetamide (PubChem CID 2366697) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is N-acetyl-2-chloroacetamide.

Molecular Properties

Compound NameN-acetyl-2-chloroacetamide
PubChem CID2366697
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC NameN-acetyl-2-chloroacetamide
SMILESCC(=O)NC(=O)CCl
InChIInChI=1S/C4H6ClNO2/c1-3(7)6-4(8)2-5/h2H2,1H3,(H,6,7,8)
InChIKeyAYETZOVOIOQESV-UHFFFAOYSA-N
XLogP-0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methylbut-2-en-2-yl)acetamide
CID 20554727
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
methyl (E)-3-[(2-chloroacetyl)amino]but-2-enoate
CID 19166642
methyl 2-[(2-chloroacetyl)amino]prop-2-enoate
CID 22251401
N-acetyl-3,3-dimethylbutanamide
CID 59565837
2,2,2-trichloro-N-(2-chloroacetyl)acetamide
CID 154016680
tris(N-acetylacetamide);gallane
CID 175572719
2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
CID 43243232
2-chloro-N-(2-methylprop-1-enyl)acetamide
CID 55287627
dichloromethane;N-hydroxyacetamide
CID 175349163
N-hydroxysulfanylacetamide
CID 88522528
2-chloro-N-methylacetamide;methanamine
CID 162214165

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-chloroacetamide?
The IUPAC name of N-acetyl-2-chloroacetamide (CID 2366697) is N-acetyl-2-chloroacetamide.
What is the SMILES notation for N-acetyl-2-chloroacetamide?
The canonical SMILES for N-acetyl-2-chloroacetamide is CC(=O)NC(=O)CCl.
What is the InChIKey of N-acetyl-2-chloroacetamide?
The InChIKey is AYETZOVOIOQESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO2/c1-3(7)6-4(8)2-5/h2H2,1H3,(H,6,7,8).
What are the key properties of N-acetyl-2-chloroacetamide?
N-acetyl-2-chloroacetamide has a molecular weight of 135.55 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-chloroacetamide is sourced from PubChem (CID 2366697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).