2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide

C19H26ClNO3 — CID 78096214

IUPAC2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide
SMILESCOCCC(C=C1CCCCC1)c1cccc(Cl)c1C(=O)NOC
InChIInChI=1S/C19H26ClNO3/c1-23-12-11-15(13-14-7-4-3-5-8-14)16-9-6-10-17(20)18(16)19(22)21-24-2/h6,9-10,13,15H,3-5,7-8,11-12H2,1-2H3,(H,21,22)
InChIKeyPPIXXNJSLLFODN-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.64
Rot. Bonds7

About 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide

2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide (PubChem CID 78096214) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide
PubChem CID78096214
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide
SMILESCOCCC(C=C1CCCCC1)c1cccc(Cl)c1C(=O)NOC
InChIInChI=1S/C19H26ClNO3/c1-23-12-11-15(13-14-7-4-3-5-8-14)16-9-6-10-17(20)18(16)19(22)21-24-2/h6,9-10,13,15H,3-5,7-8,11-12H2,1-2H3,(H,21,22)
InChIKeyPPIXXNJSLLFODN-UHFFFAOYSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxy-6-methylbenzamide
CID 102197884
2-(1-cyclohexylidene-4-hydroxybutan-2-yl)-N-methoxybenzamide
CID 102197888
2-chloro-6-iodo-N-methoxybenzamide
CID 131106200
methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467
2-amino-N-(2,6-dichlorophenyl)-4-methoxybutanamide
CID 65467824
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
methyl 2-(2-amino-3-chlorophenyl)-3-cyclopentylpropanoate
CID 106987579
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019
2-amino-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 63659332
3-chloro-N-methoxy-2-methylbenzamide
CID 107097630
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide?
The IUPAC name of 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide (CID 78096214) is 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide.
What is the SMILES notation for 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide?
The canonical SMILES for 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide is COCCC(C=C1CCCCC1)c1cccc(Cl)c1C(=O)NOC.
What is the InChIKey of 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide?
The InChIKey is PPIXXNJSLLFODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO3/c1-23-12-11-15(13-14-7-4-3-5-8-14)16-9-6-10-17(20)18(16)19(22)21-24-2/h6,9-10,13,15H,3-5,7-8,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide?
2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide has a molecular weight of 351.87 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-cyclohexylidene-4-methoxybutan-2-yl)-N-methoxybenzamide is sourced from PubChem (CID 78096214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).