N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide

C12H13ClN2O2 — CID 4185911

IUPACN'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H13ClN2O2/c1-3-7-14-11(16)12(17)15-10-6-4-5-9(13)8(10)2/h3-6H,1,7H2,2H3,(H,14,16)(H,15,17)
InChIKeyUYPBYWVJVKWUBR-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.89
Rot. Bonds3

About N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide

N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide (PubChem CID 4185911) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
PubChem CID4185911
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H13ClN2O2/c1-3-7-14-11(16)12(17)15-10-6-4-5-9(13)8(10)2/h3-6H,1,7H2,2H3,(H,14,16)(H,15,17)
InChIKeyUYPBYWVJVKWUBR-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.89
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-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 45000329
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]prop-2-enamide
CID 146150404
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]oxamide
CID 95984215
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386
2-(3-chloro-2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247769
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
methyl 2-[[2-oxo-2-(prop-2-enylamino)acetyl]amino]benzoate
CID 3607334
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide (CID 4185911) is N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide?
The InChIKey is UYPBYWVJVKWUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-7-14-11(16)12(17)15-10-6-4-5-9(13)8(10)2/h3-6H,1,7H2,2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide?
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide has a molecular weight of 252.70 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 4185911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).