N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide

C15H17ClN2O2 — CID 108516758

IUPACN-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H17ClN2O2/c1-4-8-18(9-5-2)15(20)14(19)17-13-7-6-12(16)10-11(13)3/h4-7,10H,1-2,8-9H2,3H3,(H,17,19)
InChIKeyPJYTXKVQOMRCRY-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.79
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide

N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide (PubChem CID 108516758) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
PubChem CID108516758
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H17ClN2O2/c1-4-8-18(9-5-2)15(20)14(19)17-13-7-6-12(16)10-11(13)3/h4-7,10H,1-2,8-9H2,3H3,(H,17,19)
InChIKeyPJYTXKVQOMRCRY-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.79
H-Bond Donors ≤ 51
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-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516853
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
2-[(5-chloro-2-fluorophenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79277035
N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide
CID 108507708
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865
1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910302
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
1-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131132

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide (CID 108516758) is N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide is C=CCN(CC=C)C(=O)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
The InChIKey is PJYTXKVQOMRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-4-8-18(9-5-2)15(20)14(19)17-13-7-6-12(16)10-11(13)3/h4-7,10H,1-2,8-9H2,3H3,(H,17,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide?
N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide has a molecular weight of 292.77 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide is sourced from PubChem (CID 108516758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).