2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide

C8H10Cl3NO — CID 736559

IUPAC2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10Cl3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-4H,1-2,5-6H2
InChIKeyFCLMEOAIBNBGBX-UHFFFAOYSA-N
MW242.53 g/mol
LogP2.56
Rot. Bonds4

About 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide

2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide (PubChem CID 736559) has the molecular formula C8H10Cl3NO and a molecular weight of 242.53 g/mol. Its IUPAC name is 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
PubChem CID736559
Molecular FormulaC8H10Cl3NO
Molecular Weight242.53 g/mol
Exact Mass240.98
IUPAC Name2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H10Cl3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-4H,1-2,5-6H2
InChIKeyFCLMEOAIBNBGBX-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.53
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide
CID 3525541
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
7-[bis(prop-2-enyl)amino]-2,2,3,3,4,4,5,5,6,6-decafluoro-7-oxoheptanoic acid
CID 21156345
2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide
CID 134847390
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 102520805
2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide (CID 736559) is 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is FCLMEOAIBNBGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl3NO/c1-3-5-12(6-4-2)7(13)8(9,10)11/h3-4H,1-2,5-6H2.
What are the key properties of 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide?
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 242.53 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 736559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).