4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide

C23H25ClN2O2 — CID 109045014

IUPAC4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN2O2/c24-21-12-6-18(7-13-21)16-26-23(28)20-10-8-19(9-11-20)22(27)25-15-14-17-4-2-1-3-5-17/h4,6-13H,1-3,5,14-16H2,(H,25,27)(H,26,28)
InChIKeyOIWTUCNCJJKRAI-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.89
Rot. Bonds7

About 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide

4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109045014) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
PubChem CID109045014
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN2O2/c24-21-12-6-18(7-13-21)16-26-23(28)20-10-8-19(9-11-20)22(27)25-15-14-17-4-2-1-3-5-17/h4,6-13H,1-3,5,14-16H2,(H,25,27)(H,26,28)
InChIKeyOIWTUCNCJJKRAI-UHFFFAOYSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.89
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

4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
2-[(4-chlorophenyl)methylamino]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-4-carboxamide
CID 109166574
N-[(4-chlorophenyl)methyl]-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227516
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
4-(benzylsulfamoyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 109059643
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide (CID 109045014) is 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide is O=C(NCCC1=CCCCC1)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is OIWTUCNCJJKRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-21-12-6-18(7-13-21)16-26-23(28)20-10-8-19(9-11-20)22(27)25-15-14-17-4-2-1-3-5-17/h4,6-13H,1-3,5,14-16H2,(H,25,27)(H,26,28).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide?
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.89, 7 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-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).