N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide

C18H17Cl2N3O3 — CID 2946572

IUPACN-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C18H17Cl2N3O3/c19-12-4-6-15(20)16(10-12)21-18(24)14-11-13(23(25)26)5-7-17(14)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,21,24)
InChIKeyHRVHAIFBVYKTNF-UHFFFAOYSA-N
MW394.26 g/mol
LogP5.14
Rot. Bonds4

About N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide

N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide (PubChem CID 2946572) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide
PubChem CID2946572
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC NameN-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C18H17Cl2N3O3/c19-12-4-6-15(20)16(10-12)21-18(24)14-11-13(23(25)26)5-7-17(14)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,21,24)
InChIKeyHRVHAIFBVYKTNF-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
CID 7922555
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-nitro-2-piperidin-1-ylbenzamide
CID 39820467
N-(3-chloro-4-fluorophenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9208214
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
methyl 2-chloro-5-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate
CID 34267022
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690
2-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-5-nitrobenzamide
CID 3596700
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
2-methyl-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoic acid
CID 28674273
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 55329333
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide (CID 2946572) is N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide is O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide?
The InChIKey is HRVHAIFBVYKTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c19-12-4-6-15(20)16(10-12)21-18(24)14-11-13(23(25)26)5-7-17(14)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide?
N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide 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 N-(2,5-dichlorophenyl)-5-nitro-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 2946572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).