4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide

C17H15ClN2O2 — CID 109043565

IUPAC4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-11-19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h2-10H,1,11H2,(H,19,21)(H,20,22)
InChIKeyAOJNLOKLIATZQE-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.51
Rot. Bonds5

About 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide

4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide (PubChem CID 109043565) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
PubChem CID109043565
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-11-19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h2-10H,1,11H2,(H,19,21)(H,20,22)
InChIKeyAOJNLOKLIATZQE-UHFFFAOYSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043561
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066897
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
5-N-(2,5-dichlorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101895
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
N-[4-[(2-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 56688132
N-(2-chlorophenyl)-4-(ethylamino)benzamide
CID 62167613
N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72771533

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide (CID 109043565) is 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide is C=CCNC(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The InChIKey is AOJNLOKLIATZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-11-19-16(21)12-7-9-13(10-8-12)17(22)20-15-6-4-3-5-14(15)18/h2-10H,1,11H2,(H,19,21)(H,20,22).
What are the key properties of 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).