N-chloro-N-formylacetamide

C3H4ClNO2 — CID 54573141

IUPACN-chloro-N-formylacetamide
SMILESCC(=O)N(Cl)C=O
InChIInChI=1S/C3H4ClNO2/c1-3(7)5(4)2-6/h2H,1H3
InChIKeyBQTWBKDDACVLNT-UHFFFAOYSA-N
MW121.52 g/mol
LogP0.15
Rot. Bonds1

About N-chloro-N-formylacetamide

N-chloro-N-formylacetamide (PubChem CID 54573141) has the molecular formula C3H4ClNO2 and a molecular weight of 121.52 g/mol. Its IUPAC name is N-chloro-N-formylacetamide.

Molecular Properties

Compound NameN-chloro-N-formylacetamide
PubChem CID54573141
Molecular FormulaC3H4ClNO2
Molecular Weight121.52 g/mol
Exact Mass120.99
IUPAC NameN-chloro-N-formylacetamide
SMILESCC(=O)N(Cl)C=O
InChIInChI=1S/C3H4ClNO2/c1-3(7)5(4)2-6/h2H,1H3
InChIKeyBQTWBKDDACVLNT-UHFFFAOYSA-N
XLogP0.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.52
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-formylacetamide?
The IUPAC name of N-chloro-N-formylacetamide (CID 54573141) is N-chloro-N-formylacetamide.
What is the SMILES notation for N-chloro-N-formylacetamide?
The canonical SMILES for N-chloro-N-formylacetamide is CC(=O)N(Cl)C=O.
What is the InChIKey of N-chloro-N-formylacetamide?
The InChIKey is BQTWBKDDACVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClNO2/c1-3(7)5(4)2-6/h2H,1H3.
What are the key properties of N-chloro-N-formylacetamide?
N-chloro-N-formylacetamide has a molecular weight of 121.52 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-formylacetamide is sourced from PubChem (CID 54573141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).