N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide

C19H20FN3O3 — CID 55595706

IUPACN-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C19H20FN3O3/c20-15-6-4-5-14(11-15)13-21-19(24)17-12-16(23(25)26)7-8-18(17)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10,13H2,(H,21,24)
InChIKeyRVWHMJMBBCEPIU-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.65
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide

N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide (PubChem CID 55595706) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide
PubChem CID55595706
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide
SMILESO=C(NCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
InChIInChI=1S/C19H20FN3O3/c20-15-6-4-5-14(11-15)13-21-19(24)17-12-16(23(25)26)7-8-18(17)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10,13H2,(H,21,24)
InChIKeyRVWHMJMBBCEPIU-UHFFFAOYSA-N
XLogP3.65
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 49391007
5-nitro-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 60556393
N-[2-(3-fluorophenoxy)ethyl]-5-nitro-2-piperidin-1-ylbenzamide
CID 35096217
N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 4593674
N-[(3-chlorophenyl)methyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 7409532
N-benzyl-5-[(2-chloro-4-nitrobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42756992
N-(2-hydroxypropyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 78800109
5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-piperidin-1-ylbenzamide
CID 26378988
5-nitro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 55466291
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-nitro-2-piperidin-1-ylbenzamide
CID 24978691
5-[(3-nitrobenzoyl)amino]-2-piperidin-1-yl-N-(pyridin-3-ylmethyl)benzamide
CID 1055034
2-(4-methylpiperidin-1-yl)-5-nitro-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 46582038

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide (CID 55595706) is N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide is O=C(NCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide?
The InChIKey is RVWHMJMBBCEPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-6-4-5-14(11-15)13-21-19(24)17-12-16(23(25)26)7-8-18(17)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10,13H2,(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide?
N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide has a molecular weight of 357.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-nitro-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 55595706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).