N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide

C11H13ClN2O — CID 28563439

IUPACN-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O/c1-2-7-13-8-11(15)14-10-6-4-3-5-9(10)12/h2-6,13H,1,7-8H2,(H,14,15)
InChIKeyNEFBKKHQAASOOZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.05
Rot. Bonds5

About N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide

N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 28563439) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
PubChem CID28563439
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O/c1-2-7-13-8-11(15)14-10-6-4-3-5-9(10)12/h2-6,13H,1,7-8H2,(H,14,15)
InChIKeyNEFBKKHQAASOOZ-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hydroxymethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285478
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
N-[2-(difluoromethylsulfanyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78910823
N-(2-chloro-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627699
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251
N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 78908313
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78908846
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
N-(2-chlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]acetamide
CID 113313241
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
N-(2-chlorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 78795478

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide (CID 28563439) is N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is NEFBKKHQAASOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-7-13-8-11(15)14-10-6-4-3-5-9(10)12/h2-6,13H,1,7-8H2,(H,14,15).
What are the key properties of N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide?
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 224.69 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 28563439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).