4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide

C17H21ClN2O — CID 129460373

IUPAC4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide
SMILESCC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O/c1-13(2)5-4-6-14(3)11-12-19-20-17(21)15-7-9-16(18)10-8-15/h5,7-12H,4,6H2,1-3H3,(H,20,21)/b14-11+,19-12?
InChIKeyGSVCLZCYPBPQEA-XHOSPMEYSA-N
MW304.82 g/mol
LogP4.75
Rot. Bonds6

About 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide

4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide (PubChem CID 129460373) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide
PubChem CID129460373
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide
SMILESCC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O/c1-13(2)5-4-6-14(3)11-12-19-20-17(21)15-7-9-16(18)10-8-15/h5,7-12H,4,6H2,1-3H3,(H,20,21)/b14-11+,19-12?
InChIKeyGSVCLZCYPBPQEA-XHOSPMEYSA-N
XLogP4.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-(propanoylamino)benzamide
CID 6135333
N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 6014232
4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide
CID 6899373
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
4-amino-N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]benzamide
CID 9070857
N-[(Z)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-4-nitroaniline
CID 6383941
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide?
The IUPAC name of 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide (CID 129460373) is 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide.
What is the SMILES notation for 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide?
The canonical SMILES for 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide is CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide?
The InChIKey is GSVCLZCYPBPQEA-XHOSPMEYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-13(2)5-4-6-14(3)11-12-19-20-17(21)15-7-9-16(18)10-8-15/h5,7-12H,4,6H2,1-3H3,(H,20,21)/b14-11+,19-12?.
What are the key properties of 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide?
4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide has a molecular weight of 304.82 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzamide is sourced from PubChem (CID 129460373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).