2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide

C18H17Cl2N3O3 — CID 7922555

IUPAC2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H17Cl2N3O3/c19-12-4-7-17(22-8-2-1-3-9-22)16(10-12)21-18(24)14-6-5-13(23(25)26)11-15(14)20/h4-7,10-11H,1-3,8-9H2,(H,21,24)
InChIKeyPLABYXCUJVJIPA-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.14
Rot. Bonds4

About 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide

2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide (PubChem CID 7922555) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
PubChem CID7922555
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C18H17Cl2N3O3/c19-12-4-7-17(22-8-2-1-3-9-22)16(10-12)21-18(24)14-6-5-13(23(25)26)11-15(14)20/h4-7,10-11H,1-3,8-9H2,(H,21,24)
InChIKeyPLABYXCUJVJIPA-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

N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 2946572
2-chloro-N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-nitrobenzamide
CID 5034506
2-chloro-N-[2-(4-methyl-1,4-diazepan-1-yl)-5-nitrophenyl]benzamide
CID 71719508
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
2-chloro-N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-4-nitrobenzamide
CID 2981763
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
N-(3-chloro-4-fluorophenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9208214
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-nitro-2-piperidin-1-ylbenzamide
CID 39820467
4-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 35355020
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide (CID 7922555) is 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide is O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide?
The InChIKey is PLABYXCUJVJIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c19-12-4-7-17(22-8-2-1-3-9-22)16(10-12)21-18(24)14-6-5-13(23(25)26)11-15(14)20/h4-7,10-11H,1-3,8-9H2,(H,21,24).
What are the key properties of 2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide?
2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-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-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 7922555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).