N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide

C19H20ClN3O4 — CID 50881707

IUPACN-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H20ClN3O4/c20-15-11-18(23(25)26)17(22-9-5-2-6-10-22)12-16(15)21-19(24)13-27-14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2,(H,21,24)
InChIKeyWXBIKTLNQALIAX-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.26
Rot. Bonds6

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

N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide (PubChem CID 50881707) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide
PubChem CID50881707
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H20ClN3O4/c20-15-11-18(23(25)26)17(22-9-5-2-6-10-22)12-16(15)21-19(24)13-27-14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2,(H,21,24)
InChIKeyWXBIKTLNQALIAX-UHFFFAOYSA-N
XLogP4.26
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chloro-4-nitro-5-piperidin-1-ylphenyl)-3-methoxybenzamide
CID 50881808
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
3-chloro-N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)benzamide
CID 50881507
N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881821
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
3-chloro-N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
CID 50881453
1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 2979481
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1266149
2-chloro-N-[2-chloro-5-(4-ethylpiperazin-1-yl)-4-nitrophenyl]benzamide
CID 50881625
2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide
CID 168523677
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide (CID 50881707) is N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide?
The InChIKey is WXBIKTLNQALIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c20-15-11-18(23(25)26)17(22-9-5-2-6-10-22)12-16(15)21-19(24)13-27-14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2,(H,21,24).
What are the key properties of N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide?
N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide has a molecular weight of 389.84 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)-2-phenoxyacetamide is sourced from PubChem (CID 50881707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).