2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid

C13H14N2O5 — CID 110839554

IUPAC2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1
InChIInChI=1S/C13H14N2O5/c16-12(14-8-3-1-2-4-8)11-7-9(15(19)20)5-6-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18)
InChIKeyUZSLVORJTLUXCV-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.97
Rot. Bonds4

About 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid

2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid (PubChem CID 110839554) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid.

Molecular Properties

Compound Name2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
PubChem CID110839554
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1
InChIInChI=1S/C13H14N2O5/c16-12(14-8-3-1-2-4-8)11-7-9(15(19)20)5-6-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18)
InChIKeyUZSLVORJTLUXCV-UHFFFAOYSA-N
XLogP1.97
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.97
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

N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-4-nitrobenzoic acid
CID 126384634
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
bis(4-nitrophthalic acid);zirconium
CID 5176883
N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-cyclohexyl-2-methyl-3,5-dinitrobenzamide;hydrate
CID 51056886
2-butoxy-N-cyclohexyl-5-nitrobenzamide
CID 139678176
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid?
The IUPAC name of 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid (CID 110839554) is 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid.
What is the SMILES notation for 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid?
The canonical SMILES for 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid is O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1.
What is the InChIKey of 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid?
The InChIKey is UZSLVORJTLUXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-12(14-8-3-1-2-4-8)11-7-9(15(19)20)5-6-10(11)13(17)18/h5-8H,1-4H2,(H,14,16)(H,17,18).
What are the key properties of 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid?
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid has a molecular weight of 278.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid is sourced from PubChem (CID 110839554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).