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

C13H17N3O3 — CID 54917838

IUPAC2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
SMILESO=C(CNC1CCCC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c17-13(9-14-10-5-1-2-6-10)15-11-7-3-4-8-12(11)16(18)19/h3-4,7-8,10,14H,1-2,5-6,9H2,(H,15,17)
InChIKeyJDRGKHARZFBRES-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.07
Rot. Bonds5

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

2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide (PubChem CID 54917838) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
PubChem CID54917838
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide
SMILESO=C(CNC1CCCC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c17-13(9-14-10-5-1-2-6-10)15-11-7-3-4-8-12(11)16(18)19/h3-4,7-8,10,14H,1-2,5-6,9H2,(H,15,17)
InChIKeyJDRGKHARZFBRES-UHFFFAOYSA-N
XLogP2.07
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.07
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-(5-chloro-2-nitrophenyl)-2-(cyclooctylamino)acetamide
CID 9265553
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
2-(cyclopentylamino)-N-[2-(dimethylamino)phenyl]acetamide
CID 60849441
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
N-(2-nitrophenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479162
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide (CID 54917838) is 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide is O=C(CNC1CCCC1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide?
The InChIKey is JDRGKHARZFBRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(9-14-10-5-1-2-6-10)15-11-7-3-4-8-12(11)16(18)19/h3-4,7-8,10,14H,1-2,5-6,9H2,(H,15,17).
What are the key properties of 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide?
2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 54917838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).