2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide

C18H18FN3O3 — CID 86830352

IUPAC2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C18H18FN3O3/c19-17-12-15(22(24)25)6-7-16(17)18(23)20-13-8-10-21(11-9-13)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,20,23)
InChIKeyFETHKARTWDJLOW-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.13
Rot. Bonds4

About 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide

2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide (PubChem CID 86830352) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide
PubChem CID86830352
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C18H18FN3O3/c19-17-12-15(22(24)25)6-7-16(17)18(23)20-13-8-10-21(11-9-13)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,20,23)
InChIKeyFETHKARTWDJLOW-UHFFFAOYSA-N
XLogP3.13
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
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-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-2-methylbenzamide
CID 47053983
4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830350
2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
N-cyclopropyl-2-fluoro-4-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 71081149
2-fluoro-N-[1-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]benzamide
CID 86937433
2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566297
2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide
CID 47053984
4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 86828685
1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63032345
(2R)-1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 78922399
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide?
The IUPAC name of 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide (CID 86830352) is 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide?
The InChIKey is FETHKARTWDJLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-17-12-15(22(24)25)6-7-16(17)18(23)20-13-8-10-21(11-9-13)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,20,23).
What are the key properties of 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide?
2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide has a molecular weight of 343.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide is sourced from PubChem (CID 86830352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).