3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide

C17H15ClN2O2 — CID 109050974

IUPAC3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H15ClN2O2/c1-2-9-19-16(21)12-5-3-6-13(10-12)17(22)20-15-8-4-7-14(18)11-15/h2-8,10-11H,1,9H2,(H,19,21)(H,20,22)
InChIKeyZFRPIRJVLNBKCK-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.51
Rot. Bonds5

About 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide

3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide (PubChem CID 109050974) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
PubChem CID109050974
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H15ClN2O2/c1-2-9-19-16(21)12-5-3-6-13(10-12)17(22)20-15-8-4-7-14(18)11-15/h2-8,10-11H,1,9H2,(H,19,21)(H,20,22)
InChIKeyZFRPIRJVLNBKCK-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'}

Analyze 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide 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

N'-(3-chlorophenyl)-N-prop-2-enyloxamide
CID 2058074
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043611
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051017
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101837
N-(3-chlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012094

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide (CID 109050974) is 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The InChIKey is ZFRPIRJVLNBKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-9-19-16(21)12-5-3-6-13(10-12)17(22)20-15-8-4-7-14(18)11-15/h2-8,10-11H,1,9H2,(H,19,21)(H,20,22).
What are the key properties of 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-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 3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).