N,N-bis(chloromethyl)formamide

C3H5Cl2NO — CID 12517232

IUPACN,N-bis(chloromethyl)formamide
SMILESO=CN(CCl)CCl
InChIInChI=1S/C3H5Cl2NO/c4-1-6(2-5)3-7/h3H,1-2H2
InChIKeyUVWUQBCEAGHWSB-UHFFFAOYSA-N
MW141.99 g/mol
LogP0.84
Rot. Bonds3

About N,N-bis(chloromethyl)formamide

N,N-bis(chloromethyl)formamide (PubChem CID 12517232) has the molecular formula C3H5Cl2NO and a molecular weight of 141.99 g/mol. Its IUPAC name is N,N-bis(chloromethyl)formamide.

Molecular Properties

Compound NameN,N-bis(chloromethyl)formamide
PubChem CID12517232
Molecular FormulaC3H5Cl2NO
Molecular Weight141.99 g/mol
Exact Mass140.97
IUPAC NameN,N-bis(chloromethyl)formamide
SMILESO=CN(CCl)CCl
InChIInChI=1S/C3H5Cl2NO/c4-1-6(2-5)3-7/h3H,1-2H2
InChIKeyUVWUQBCEAGHWSB-UHFFFAOYSA-N
XLogP0.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.99
LogP ≤ 50.84
H-Bond Donors ≤ 50
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,N-bis(chloromethyl)formamide?
The IUPAC name of N,N-bis(chloromethyl)formamide (CID 12517232) is N,N-bis(chloromethyl)formamide.
What is the SMILES notation for N,N-bis(chloromethyl)formamide?
The canonical SMILES for N,N-bis(chloromethyl)formamide is O=CN(CCl)CCl.
What is the InChIKey of N,N-bis(chloromethyl)formamide?
The InChIKey is UVWUQBCEAGHWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2NO/c4-1-6(2-5)3-7/h3H,1-2H2.
What are the key properties of N,N-bis(chloromethyl)formamide?
N,N-bis(chloromethyl)formamide has a molecular weight of 141.99 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(chloromethyl)formamide is sourced from PubChem (CID 12517232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).