6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide

C16H17BrN2O3 — CID 58925290

IUPAC6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCBr)Nc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C16H17BrN2O3/c17-11-5-1-2-8-16(20)18-14-9-10-15(19(21)22)13-7-4-3-6-12(13)14/h3-4,6-7,9-10H,1-2,5,8,11H2,(H,18,20)
InChIKeyDDDWRSJZGRYFIP-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.64
Rot. Bonds7

About 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide

6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide (PubChem CID 58925290) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide
PubChem CID58925290
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCBr)Nc1ccc([N+](=O)[O-])c2ccccc12
InChIInChI=1S/C16H17BrN2O3/c17-11-5-1-2-8-16(20)18-14-9-10-15(19(21)22)13-7-4-3-6-12(13)14/h3-4,6-7,9-10H,1-2,5,8,11H2,(H,18,20)
InChIKeyDDDWRSJZGRYFIP-UHFFFAOYSA-N
XLogP4.64
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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

3-bromo-N-(4-nitronaphthalen-1-yl)propanamide
CID 23109836
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
[2-(5-bromopentanoylamino)phenyl]carbamic acid
CID 175518912
5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
CID 114014927
7-bromo-N-phenylheptanamide
CID 11266084
tert-butyl N-(4-nitronaphthalen-1-yl)carbamate
CID 15544597
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714
N-[4-nitro-3-(octanoylamino)phenyl]octanamide
CID 3518241

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide (CID 58925290) is 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide is O=C(CCCCCBr)Nc1ccc([N+](=O)[O-])c2ccccc12.
What is the InChIKey of 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide?
The InChIKey is DDDWRSJZGRYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c17-11-5-1-2-8-16(20)18-14-9-10-15(19(21)22)13-7-4-3-6-12(13)14/h3-4,6-7,9-10H,1-2,5,8,11H2,(H,18,20).
What are the key properties of 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide?
6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide has a molecular weight of 365.23 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-nitronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 58925290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).