2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide

C18H17Cl2N3O3 — CID 3596700

IUPAC2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H17Cl2N3O3/c19-14-8-7-12(23(25)26)11-13(14)18(24)21-16-6-4-5-15(20)17(16)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10H2,(H,21,24)
InChIKeyQOYCVJZMPRTDCT-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.14
Rot. Bonds4

About 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide

2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide (PubChem CID 3596700) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
PubChem CID3596700
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C18H17Cl2N3O3/c19-14-8-7-12(23(25)26)11-13(14)18(24)21-16-6-4-5-15(20)17(16)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10H2,(H,21,24)
InChIKeyQOYCVJZMPRTDCT-UHFFFAOYSA-N
XLogP5.14
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.26
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
CID 5034506
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 17177067
N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 2946572
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrofuran-2-carboxamide
CID 952498
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3962327
2-chloro-5-nitro-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 90544841
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide (CID 3596700) is 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide is O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide?
The InChIKey is QOYCVJZMPRTDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c19-14-8-7-12(23(25)26)11-13(14)18(24)21-16-6-4-5-15(20)17(16)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10H2,(H,21,24).
What are the key properties of 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide?
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide has a molecular weight of 394.26 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 3596700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).