5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide

C24H29Cl2N3O3 — CID 42660675

IUPAC5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CCCCC1
InChIInChI=1S/C24H29Cl2N3O3/c1-2-32-12-6-9-27-24(31)21-16-20(7-8-22(21)29-10-4-3-5-11-29)28-23(30)17-13-18(25)15-19(26)14-17/h7-8,13-16H,2-6,9-12H2,1H3,(H,27,31)(H,28,30)
InChIKeyFPIXJGQARBSFBX-UHFFFAOYSA-N
MW478.42 g/mol
LogP5.39
Rot. Bonds9

About 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide

5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide (PubChem CID 42660675) has the molecular formula C24H29Cl2N3O3 and a molecular weight of 478.42 g/mol. Its IUPAC name is 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
PubChem CID42660675
Molecular FormulaC24H29Cl2N3O3
Molecular Weight478.42 g/mol
Exact Mass477.16
IUPAC Name5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CCCCC1
InChIInChI=1S/C24H29Cl2N3O3/c1-2-32-12-6-9-27-24(31)21-16-20(7-8-22(21)29-10-4-3-5-11-29)28-23(30)17-13-18(25)15-19(26)14-17/h7-8,13-16H,2-6,9-12H2,1H3,(H,27,31)(H,28,30)
InChIKeyFPIXJGQARBSFBX-UHFFFAOYSA-N
XLogP5.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.42
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756154
N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3291960
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 3895731
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
N-(3-ethoxypropyl)-5-[(3-methoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3573870
5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42756162
N-(3-ethoxypropyl)-2-piperidin-1-yl-5-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 3992320
5-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3579642
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3268817
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032
N-(3-ethoxypropyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3442769
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide (CID 42660675) is 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide is CCOCCCNC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1N1CCCCC1.
What is the InChIKey of 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide?
The InChIKey is FPIXJGQARBSFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O3/c1-2-32-12-6-9-27-24(31)21-16-20(7-8-22(21)29-10-4-3-5-11-29)28-23(30)17-13-18(25)15-19(26)14-17/h7-8,13-16H,2-6,9-12H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide?
5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide has a molecular weight of 478.42 g/mol, XLogP of 5.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorobenzoyl)amino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 42660675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).