2-(3-nitrophenyl)pentanamide

C11H14N2O3 — CID 142403572

IUPAC2-(3-nitrophenyl)pentanamide
SMILESCCCC(C(N)=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O3/c1-2-4-10(11(12)14)8-5-3-6-9(7-8)13(15)16/h3,5-7,10H,2,4H2,1H3,(H2,12,14)
InChIKeyYKOVZIUZAMEGFQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.96
Rot. Bonds5

About 2-(3-nitrophenyl)pentanamide

2-(3-nitrophenyl)pentanamide (PubChem CID 142403572) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(3-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2-(3-nitrophenyl)pentanamide
PubChem CID142403572
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(3-nitrophenyl)pentanamide
SMILESCCCC(C(N)=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O3/c1-2-4-10(11(12)14)8-5-3-6-9(7-8)13(15)16/h3,5-7,10H,2,4H2,1H3,(H2,12,14)
InChIKeyYKOVZIUZAMEGFQ-UHFFFAOYSA-N
XLogP1.96
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(3-nitrophenyl)butan-1-amine
CID 43200371
2-(3-nitrophenyl)heptanoic acid
CID 22640684
3-[1-(3-nitrophenyl)butylamino]propanamide
CID 43553174
2-methyl-1-(3-nitrophenyl)pentan-1-amine
CID 107886414
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
2-(3-nitrophenyl)pentanedioic acid
CID 18546305
2-[2-[1-(3-nitrophenyl)butylamino]ethoxy]acetamide
CID 106235516
3-amino-3-(3-nitrophenyl)propanamide
CID 18949390
2-[1-(3-nitrophenyl)butylamino]ethanol
CID 43151078
methyl 2-(3-nitrophenyl)pent-4-ynoate
CID 10059859
ethyl 5-amino-5-(3-nitrophenyl)pentanoate
CID 82367096
(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)pentanamide?
The IUPAC name of 2-(3-nitrophenyl)pentanamide (CID 142403572) is 2-(3-nitrophenyl)pentanamide.
What is the SMILES notation for 2-(3-nitrophenyl)pentanamide?
The canonical SMILES for 2-(3-nitrophenyl)pentanamide is CCCC(C(N)=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitrophenyl)pentanamide?
The InChIKey is YKOVZIUZAMEGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-4-10(11(12)14)8-5-3-6-9(7-8)13(15)16/h3,5-7,10H,2,4H2,1H3,(H2,12,14).
What are the key properties of 2-(3-nitrophenyl)pentanamide?
2-(3-nitrophenyl)pentanamide has a molecular weight of 222.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)pentanamide is sourced from PubChem (CID 142403572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).