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

C18H17ClN2O2 — CID 109043482

IUPAC4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-2-11-20-17(22)14-5-7-15(8-6-14)18(23)21-12-13-3-9-16(19)10-4-13/h2-10H,1,11-12H2,(H,20,22)(H,21,23)
InChIKeySEWRIIVVMNFLFR-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.19
Rot. Bonds6

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

4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide (PubChem CID 109043482) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
PubChem CID109043482
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
SMILESC=CCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-2-11-20-17(22)14-5-7-15(8-6-14)18(23)21-12-13-3-9-16(19)10-4-13/h2-10H,1,11-12H2,(H,20,22)(H,21,23)
InChIKeySEWRIIVVMNFLFR-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.19
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

N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 94622380
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
CID 4178891
N-benzyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 28640054
4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide (CID 109043482) is 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide is C=CCNC(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
The InChIKey is SEWRIIVVMNFLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-11-20-17(22)14-5-7-15(8-6-14)18(23)21-12-13-3-9-16(19)10-4-13/h2-10H,1,11-12H2,(H,20,22)(H,21,23).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide?
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109043482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).