2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide

C10H16BrCl5N2O2 — CID 20564690

IUPAC2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide
SMILESNC(=O)C(CCl)(CCl)CBr.NC(=O)C(CCl)(CCl)CCl
InChIInChI=1S/C5H8BrCl2NO.C5H8Cl3NO/c2*6-1-5(2-7,3-8)4(9)10/h2*1-3H2,(H2,9,10)
InChIKeyIHSFMSBZYLPEIE-UHFFFAOYSA-N
MW453.42 g/mol
LogP2.51
Rot. Bonds8

About 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide

2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide (PubChem CID 20564690) has the molecular formula C10H16BrCl5N2O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide.

Molecular Properties

Compound Name2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide
PubChem CID20564690
Molecular FormulaC10H16BrCl5N2O2
Molecular Weight453.42 g/mol
Exact Mass449.88
IUPAC Name2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide
SMILESNC(=O)C(CCl)(CCl)CBr.NC(=O)C(CCl)(CCl)CCl
InChIInChI=1S/C5H8BrCl2NO.C5H8Cl3NO/c2*6-1-5(2-7,3-8)4(9)10/h2*1-3H2,(H2,9,10)
InChIKeyIHSFMSBZYLPEIE-UHFFFAOYSA-N
XLogP2.51
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide?
The IUPAC name of 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide (CID 20564690) is 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide.
What is the SMILES notation for 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide?
The canonical SMILES for 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide is NC(=O)C(CCl)(CCl)CBr.NC(=O)C(CCl)(CCl)CCl.
What is the InChIKey of 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide?
The InChIKey is IHSFMSBZYLPEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrCl2NO.C5H8Cl3NO/c2*6-1-5(2-7,3-8)4(9)10/h2*1-3H2,(H2,9,10).
What are the key properties of 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide?
2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide has a molecular weight of 453.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide is sourced from PubChem (CID 20564690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).