N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide

C19H19FN2O3 — CID 51951449

IUPACN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19FN2O3/c20-15-11-9-14(10-12-15)18(13-5-1-2-6-13)21-19(23)16-7-3-4-8-17(16)22(24)25/h3-4,7-13,18H,1-2,5-6H2,(H,21,23)/t18-/m0/s1
InChIKeyOXYJVVUXKNXEPO-SFHVURJKSA-N
MW342.37 g/mol
LogP4.40
Rot. Bonds5

About N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide

N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide (PubChem CID 51951449) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide
PubChem CID51951449
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19FN2O3/c20-15-11-9-14(10-12-15)18(13-5-1-2-6-13)21-19(23)16-7-3-4-8-17(16)22(24)25/h3-4,7-13,18H,1-2,5-6H2,(H,21,23)/t18-/m0/s1
InChIKeyOXYJVVUXKNXEPO-SFHVURJKSA-N
XLogP4.40
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.40
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

N-[cyclopropyl-(4-fluorophenyl)methyl]-2-nitroaniline
CID 43785510
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
N-(2-amino-1-cyclopropylethyl)-2-nitrobenzamide
CID 65188581
1-tert-butyl-3-[cyclopentyl-(4-fluorophenyl)methyl]urea
CID 112840360
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-5-methoxy-2-nitrobenzamide
CID 47859013
N-[(S)-cyclohexyl(phenyl)methyl]-4-methylsulfonyl-3-nitrobenzamide
CID 39025332
4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
CID 119295925
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-nitrobenzamide
CID 800221
N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 95307033
N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
CID 26786259
[(1S)-1-(4-fluorophenyl)ethyl] 2-nitrobenzoate
CID 29434834

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide?
The IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide (CID 51951449) is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide?
The canonical SMILES for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide is O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide?
The InChIKey is OXYJVVUXKNXEPO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-15-11-9-14(10-12-15)18(13-5-1-2-6-13)21-19(23)16-7-3-4-8-17(16)22(24)25/h3-4,7-13,18H,1-2,5-6H2,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide?
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide has a molecular weight of 342.37 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 51951449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).