N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide

C15H17ClN2O2 — CID 108507708

IUPACN-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-3-9-18(10-4-2)15(20)14(19)17-11-12-5-7-13(16)8-6-12/h3-8H,1-2,9-11H2,(H,17,19)
InChIKeyGKFMNTYKBBBFMH-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.16
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide

N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide (PubChem CID 108507708) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide
PubChem CID108507708
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-3-9-18(10-4-2)15(20)14(19)17-11-12-5-7-13(16)8-6-12/h3-8H,1-2,9-11H2,(H,17,19)
InChIKeyGKFMNTYKBBBFMH-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.16
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

3-[(4-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108899227
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide
CID 108507762
N-(4-chloro-2-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516758
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
(Z)-3-[2-(4-chlorophenyl)ethylamino]-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861367
(Z)-3-(4-chloroanilino)-2-cyano-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861140
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 55338942

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide (CID 108507708) is N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide is C=CCN(CC=C)C(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide?
The InChIKey is GKFMNTYKBBBFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-9-18(10-4-2)15(20)14(19)17-11-12-5-7-13(16)8-6-12/h3-8H,1-2,9-11H2,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide?
N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide has a molecular weight of 292.77 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N',N'-bis(prop-2-enyl)oxamide is sourced from PubChem (CID 108507708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).