4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide

C26H33ClN2O2 — CID 162787095

IUPAC4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
SMILESO=C(NN=C1CCCCCCCCCCC1)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H33ClN2O2/c27-23-16-12-21(13-17-23)20-31-25-18-14-22(15-19-25)26(30)29-28-24-10-8-6-4-2-1-3-5-7-9-11-24/h12-19H,1-11,20H2,(H,29,30)
InChIKeyVXHTXNCAFKWNPY-UHFFFAOYSA-N
MW441.02 g/mol
LogP7.31
Rot. Bonds5

About 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide

4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide (PubChem CID 162787095) has the molecular formula C26H33ClN2O2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
PubChem CID162787095
Molecular FormulaC26H33ClN2O2
Molecular Weight441.02 g/mol
Exact Mass440.22
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
SMILESO=C(NN=C1CCCCCCCCCCC1)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H33ClN2O2/c27-23-16-12-21(13-17-23)20-31-25-18-14-22(15-19-25)26(30)29-28-24-10-8-6-4-2-1-3-5-7-9-11-24/h12-19H,1-11,20H2,(H,29,30)
InChIKeyVXHTXNCAFKWNPY-UHFFFAOYSA-N
XLogP7.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide
CID 54786851
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide
CID 9408998
N-(cyclohexylideneamino)-4-[(2,6-dibromo-4-methylphenoxy)methyl]benzamide
CID 3316986
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
N-(cyclohexylideneamino)-4-hexoxybenzamide
CID 4930590
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518183

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide (CID 162787095) is 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide is O=C(NN=C1CCCCCCCCCCC1)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide?
The InChIKey is VXHTXNCAFKWNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O2/c27-23-16-12-21(13-17-23)20-31-25-18-14-22(15-19-25)26(30)29-28-24-10-8-6-4-2-1-3-5-7-9-11-24/h12-19H,1-11,20H2,(H,29,30).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide?
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide has a molecular weight of 441.02 g/mol, XLogP of 7.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide is sourced from PubChem (CID 162787095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).