2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide

C11H17ClN2O2 — CID 126612629

IUPAC2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide
SMILESC=CCNC(=O)C(CCCl)C(=O)NCC=C
InChIInChI=1S/C11H17ClN2O2/c1-3-7-13-10(15)9(5-6-12)11(16)14-8-4-2/h3-4,9H,1-2,5-8H2,(H,13,15)(H,14,16)
InChIKeyXVFJUCCJVJUWBW-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.84
Rot. Bonds8

About 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide

2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide (PubChem CID 126612629) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide.

Molecular Properties

Compound Name2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide
PubChem CID126612629
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide
SMILESC=CCNC(=O)C(CCCl)C(=O)NCC=C
InChIInChI=1S/C11H17ClN2O2/c1-3-7-13-10(15)9(5-6-12)11(16)14-8-4-2/h3-4,9H,1-2,5-8H2,(H,13,15)(H,14,16)
InChIKeyXVFJUCCJVJUWBW-UHFFFAOYSA-N
XLogP0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
4-chloro-2-(2,6-dimethylanilino)-N-prop-2-enylbutanamide
CID 70617095
2,3-dihydroxy-N-prop-2-enylpropanamide
CID 87997467
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-methyl-N-prop-2-enylbutanamide
CID 20811204
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride
CID 139291083
1-(2-chloroethylsulfonyl)-3-prop-2-enylurea
CID 88796880
2,3-dimethyl-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 58883098
2-pentyl-N-prop-2-enylundecanamide
CID 5180097

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide?
The IUPAC name of 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide (CID 126612629) is 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide.
What is the SMILES notation for 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide?
The canonical SMILES for 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide is C=CCNC(=O)C(CCCl)C(=O)NCC=C.
What is the InChIKey of 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide?
The InChIKey is XVFJUCCJVJUWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-3-7-13-10(15)9(5-6-12)11(16)14-8-4-2/h3-4,9H,1-2,5-8H2,(H,13,15)(H,14,16).
What are the key properties of 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide?
2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide has a molecular weight of 244.72 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide is sourced from PubChem (CID 126612629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).