N-chloroformamide

CH2ClNO — CID 12663091

IUPACN-chloroformamide
SMILESO=CNCl
InChIInChI=1S/CH2ClNO/c2-3-1-4/h1H,(H,3,4)
InChIKeyNFFSTVSAHCVTMU-UHFFFAOYSA-N
MW79.49 g/mol
LogP-0.11
Rot. Bonds1

About N-chloroformamide

N-chloroformamide (PubChem CID 12663091) has the molecular formula CH2ClNO and a molecular weight of 79.49 g/mol. Its IUPAC name is N-chloroformamide.

Molecular Properties

Compound NameN-chloroformamide
PubChem CID12663091
Molecular FormulaCH2ClNO
Molecular Weight79.49 g/mol
Exact Mass78.98
IUPAC NameN-chloroformamide
SMILESO=CNCl
InChIInChI=1S/CH2ClNO/c2-3-1-4/h1H,(H,3,4)
InChIKeyNFFSTVSAHCVTMU-UHFFFAOYSA-N
XLogP-0.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.49
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-chloroformamide?
The IUPAC name of N-chloroformamide (CID 12663091) is N-chloroformamide.
What is the SMILES notation for N-chloroformamide?
The canonical SMILES for N-chloroformamide is O=CNCl.
What is the InChIKey of N-chloroformamide?
The InChIKey is NFFSTVSAHCVTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClNO/c2-3-1-4/h1H,(H,3,4).
What are the key properties of N-chloroformamide?
N-chloroformamide has a molecular weight of 79.49 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloroformamide is sourced from PubChem (CID 12663091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).