N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide

C20H21FN2O3 — CID 78853764

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C20H21FN2O3/c21-17-9-5-15(6-10-17)13-14-22(18-3-1-2-4-18)20(24)16-7-11-19(12-8-16)23(25)26/h5-12,18H,1-4,13-14H2
InChIKeyBNBALOMUOITIBJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.36
Rot. Bonds6

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

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide (PubChem CID 78853764) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
PubChem CID78853764
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C20H21FN2O3/c21-17-9-5-15(6-10-17)13-14-22(18-3-1-2-4-18)20(24)16-7-11-19(12-8-16)23(25)26/h5-12,18H,1-4,13-14H2
InChIKeyBNBALOMUOITIBJ-UHFFFAOYSA-N
XLogP4.36
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
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-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-cyclopentyl-4-(difluoromethylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 78853831
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 78853833
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78853634
[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 4-nitrobenzoate
CID 7505892
5-bromo-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]furan-3-carboxamide
CID 78853656
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 78853637
4-fluoro-N-(4-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46051946
N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 19119950
4-acetyl-N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 78853816

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide (CID 78853764) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide is O=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide?
The InChIKey is BNBALOMUOITIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-9-5-15(6-10-17)13-14-22(18-3-1-2-4-18)20(24)16-7-11-19(12-8-16)23(25)26/h5-12,18H,1-4,13-14H2.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide has a molecular weight of 356.40 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide is sourced from PubChem (CID 78853764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).