N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide

C13H16BrN3O3 — CID 60647189

IUPACN-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
SMILESO=C(CNC1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H16BrN3O3/c14-11-7-10(17(19)20)5-6-12(11)16-13(18)8-15-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2,(H,16,18)
InChIKeyJWWHVHGDBJHKLL-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.83
Rot. Bonds5

About N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide

N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide (PubChem CID 60647189) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
PubChem CID60647189
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
SMILESO=C(CNC1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H16BrN3O3/c14-11-7-10(17(19)20)5-6-12(11)16-13(18)8-15-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2,(H,16,18)
InChIKeyJWWHVHGDBJHKLL-UHFFFAOYSA-N
XLogP2.83
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.83
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-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
2-bromo-N-cyclopentyl-4-nitroaniline
CID 2767819
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
CID 54917838
N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
CID 2946043
N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
2-(2-bromo-4-nitroanilino)cyclohexan-1-ol
CID 55063752
[2-(2-bromo-4-nitroanilino)cyclohexyl]methanol
CID 106362304
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide (CID 60647189) is N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide is O=C(CNC1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide?
The InChIKey is JWWHVHGDBJHKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c14-11-7-10(17(19)20)5-6-12(11)16-13(18)8-15-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2,(H,16,18).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide?
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide has a molecular weight of 342.19 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide is sourced from PubChem (CID 60647189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).