3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide

C14H17ClN2O3 — CID 82780449

IUPAC3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H17ClN2O3/c1-9(10-4-2-3-5-10)16-14(18)11-6-7-13(17(19)20)12(15)8-11/h6-10H,2-5H2,1H3,(H,16,18)
InChIKeyZDJOYSLEIWBNKH-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.56
Rot. Bonds4

About 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide

3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide (PubChem CID 82780449) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
PubChem CID82780449
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H17ClN2O3/c1-9(10-4-2-3-5-10)16-14(18)11-6-7-13(17(19)20)12(15)8-11/h6-10H,2-5H2,1H3,(H,16,18)
InChIKeyZDJOYSLEIWBNKH-UHFFFAOYSA-N
XLogP3.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.56
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

3-chloro-4-nitro-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103873347
4-bromo-N-(1-cyclohexylethyl)-3-nitrobenzamide
CID 62407561
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide
CID 115868875
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]-4-nitrobenzamide
CID 82780779
3-chloro-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 82780893
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
2-[(3-chloro-4-nitrobenzoyl)amino]-2-methoxyacetic acid
CID 70432634

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide (CID 82780449) is 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide is CC(NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1.
What is the InChIKey of 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide?
The InChIKey is ZDJOYSLEIWBNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9(10-4-2-3-5-10)16-14(18)11-6-7-13(17(19)20)12(15)8-11/h6-10H,2-5H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide?
3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide has a molecular weight of 296.75 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclopentylethyl)-4-nitrobenzamide is sourced from PubChem (CID 82780449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).