2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide

C14H18BrN3O3 — CID 119557297

IUPAC2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C14H18BrN3O3/c15-13-8-11(18(20)21)3-4-12(13)14(19)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2,(H,17,19)
InChIKeyDRISHRJWOMSEEL-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.48
Rot. Bonds5

About 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide

2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119557297) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119557297
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C14H18BrN3O3/c15-13-8-11(18(20)21)3-4-12(13)14(19)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2,(H,17,19)
InChIKeyDRISHRJWOMSEEL-UHFFFAOYSA-N
XLogP2.48
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.48
H-Bond Donors ≤ 52
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-bromo-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63623606
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
2-iodo-4-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464595
5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
2-bromo-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971622
1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628892
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
5-methylsulfanyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557437

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide (CID 119557297) is 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is DRISHRJWOMSEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c15-13-8-11(18(20)21)3-4-12(13)14(19)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2,(H,17,19).
What are the key properties of 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide?
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 356.22 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119557297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).