N'-(3-chlorophenyl)-N-prop-2-enyloxamide

C11H11ClN2O2 — CID 2058074

IUPACN'-(3-chlorophenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16)
InChIKeyGYYIFNCREMZMSU-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.58
Rot. Bonds3

About N'-(3-chlorophenyl)-N-prop-2-enyloxamide

N'-(3-chlorophenyl)-N-prop-2-enyloxamide (PubChem CID 2058074) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-prop-2-enyloxamide
PubChem CID2058074
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC NameN'-(3-chlorophenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16)
InChIKeyGYYIFNCREMZMSU-UHFFFAOYSA-N
XLogP1.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylphenyl)-N-prop-2-enyloxamide
CID 2290778
N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7292713
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 4297035
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 44996296
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174354

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-prop-2-enyloxamide (CID 2058074) is N'-(3-chlorophenyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-prop-2-enyloxamide?
The InChIKey is GYYIFNCREMZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-2-6-13-10(15)11(16)14-9-5-3-4-8(12)7-9/h2-5,7H,1,6H2,(H,13,15)(H,14,16).
What are the key properties of N'-(3-chlorophenyl)-N-prop-2-enyloxamide?
N'-(3-chlorophenyl)-N-prop-2-enyloxamide has a molecular weight of 238.67 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 2058074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).