2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide

C8H8Br3Cl2NO — CID 54480638

IUPAC2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide
SMILESO=C(N(CC=CCl)CC=CCl)C(Br)(Br)Br
InChIInChI=1S/C8H8Br3Cl2NO/c9-8(10,11)7(15)14(5-1-3-12)6-2-4-13/h1-4H,5-6H2
InChIKeyXOTIWINDRQHXOK-UHFFFAOYSA-N
MW444.78 g/mol
LogP4.16
Rot. Bonds4

About 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide

2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide (PubChem CID 54480638) has the molecular formula C8H8Br3Cl2NO and a molecular weight of 444.78 g/mol. Its IUPAC name is 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide
PubChem CID54480638
Molecular FormulaC8H8Br3Cl2NO
Molecular Weight444.78 g/mol
Exact Mass440.75
IUPAC Name2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide
SMILESO=C(N(CC=CCl)CC=CCl)C(Br)(Br)Br
InChIInChI=1S/C8H8Br3Cl2NO/c9-8(10,11)7(15)14(5-1-3-12)6-2-4-13/h1-4H,5-6H2
InChIKeyXOTIWINDRQHXOK-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.78
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-chloroprop-2-enyl]-N-(2-oxoethyl)acetamide
CID 19738539
N-(3-chloroprop-2-enyl)-N-prop-2-enylacetamide
CID 88729564
2-bromo-N,N-bis[(E)-but-2-enyl]-2,2-difluoroacetamide
CID 102091543
2-[3-chloroprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 165350727
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
[3-chloroprop-2-enyl(hydroxy)amino] acetate
CID 172737385
ethyl N-[(Z)-3-chloroprop-2-enyl]-N-(cyanomethyl)carbamate
CID 139759873
S-prop-2-enyl N-benzyl-N-(3-chloroprop-2-enyl)carbamothioate
CID 54114361
2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid
CID 62637426
2,2,5,5-tetrachloro-N,N'-bis(3-chloroprop-2-enyl)-N,N'-dipyridin-2-ylhexanediamide
CID 134841535
2-[3-chloroprop-2-enyl(cyclopropyl)amino]acetic acid
CID 76882259
N-[(E)-3-chloroprop-2-enyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 167987364

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide?
The IUPAC name of 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide (CID 54480638) is 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide.
What is the SMILES notation for 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide?
The canonical SMILES for 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide is O=C(N(CC=CCl)CC=CCl)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide?
The InChIKey is XOTIWINDRQHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br3Cl2NO/c9-8(10,11)7(15)14(5-1-3-12)6-2-4-13/h1-4H,5-6H2.
What are the key properties of 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide?
2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide has a molecular weight of 444.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-N,N-bis(3-chloroprop-2-enyl)acetamide is sourced from PubChem (CID 54480638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).