N-(1-chloroethyl)formamide

C3H6ClNO — CID 23462941

IUPACN-(1-chloroethyl)formamide
SMILESCC(Cl)NC=O
InChIInChI=1S/C3H6ClNO/c1-3(4)5-2-6/h2-3H,1H3,(H,5,6)
InChIKeyLSYPRDQEIRHAHJ-UHFFFAOYSA-N
MW107.54 g/mol
LogP0.32
Rot. Bonds2

About N-(1-chloroethyl)formamide

N-(1-chloroethyl)formamide (PubChem CID 23462941) has the molecular formula C3H6ClNO and a molecular weight of 107.54 g/mol. Its IUPAC name is N-(1-chloroethyl)formamide.

Molecular Properties

Compound NameN-(1-chloroethyl)formamide
PubChem CID23462941
Molecular FormulaC3H6ClNO
Molecular Weight107.54 g/mol
Exact Mass107.01
IUPAC NameN-(1-chloroethyl)formamide
SMILESCC(Cl)NC=O
InChIInChI=1S/C3H6ClNO/c1-3(4)5-2-6/h2-3H,1H3,(H,5,6)
InChIKeyLSYPRDQEIRHAHJ-UHFFFAOYSA-N
XLogP0.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.54
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloroethyl)formamide?
The IUPAC name of N-(1-chloroethyl)formamide (CID 23462941) is N-(1-chloroethyl)formamide.
What is the SMILES notation for N-(1-chloroethyl)formamide?
The canonical SMILES for N-(1-chloroethyl)formamide is CC(Cl)NC=O.
What is the InChIKey of N-(1-chloroethyl)formamide?
The InChIKey is LSYPRDQEIRHAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO/c1-3(4)5-2-6/h2-3H,1H3,(H,5,6).
What are the key properties of N-(1-chloroethyl)formamide?
N-(1-chloroethyl)formamide has a molecular weight of 107.54 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloroethyl)formamide is sourced from PubChem (CID 23462941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).