N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide

C12H13ClN2O2 — CID 2058081

IUPACN'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)12(17)15-8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,14,16)(H,15,17)
InChIKeyRTUHVRRKOYUUEN-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.26
Rot. Bonds4

About N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide

N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide (PubChem CID 2058081) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide
PubChem CID2058081
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)12(17)15-8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,14,16)(H,15,17)
InChIKeyRTUHVRRKOYUUEN-UHFFFAOYSA-N
XLogP1.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.26
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'}

Analyze N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ambenonium Chloride
CID 8288
Ambenonium
CID 2131
Uamc00039
CID 11232124
Benurestat
CID 38000
N-(2-amino-2-oxoethyl)-4-chlorobenzamide
CID 350021
N-(2-Amino-2-oxoethyl)-3-chlorobenzamide
CID 676589
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
2-Imidazolidinone, 1-((4-chlorophenyl)methyl)-
CID 5076481
Ro 16-6491
CID 4289
N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide (CID 2058081) is N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide?
The InChIKey is RTUHVRRKOYUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-7-14-11(16)12(17)15-8-9-3-5-10(13)6-4-9/h2-6H,1,7-8H2,(H,14,16)(H,15,17).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide?
N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide has a molecular weight of 252.70 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 2058081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).