N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide

C19H20N2O4 — CID 22010607

IUPACN-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCC2)cc1
InChIInChI=1S/C19H20N2O4/c1-25-18-12-10-16(11-13-18)20(15-4-2-3-5-15)19(22)14-6-8-17(9-7-14)21(23)24/h6-13,15H,2-5H2,1H3
InChIKeyIJUKNVGADHHBQN-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.19
Rot. Bonds5

About N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide

N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide (PubChem CID 22010607) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide
PubChem CID22010607
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCC2)cc1
InChIInChI=1S/C19H20N2O4/c1-25-18-12-10-16(11-13-18)20(15-4-2-3-5-15)19(22)14-6-8-17(9-7-14)21(23)24/h6-13,15H,2-5H2,1H3
InChIKeyIJUKNVGADHHBQN-UHFFFAOYSA-N
XLogP4.19
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
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-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
CID 9298236
N-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 138348366
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
4-methoxy-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46158972
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide
CID 56951332
4-fluoro-N-(4-fluorophenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46051946
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 2907624
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
CID 143724469
4-methyl-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 42853358

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide?
The IUPAC name of N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide (CID 22010607) is N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide is COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide?
The InChIKey is IJUKNVGADHHBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-25-18-12-10-16(11-13-18)20(15-4-2-3-5-15)19(22)14-6-8-17(9-7-14)21(23)24/h6-13,15H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide?
N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide has a molecular weight of 340.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(4-methoxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 22010607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).