N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide

C18H17FN2O3 — CID 51126175

IUPACN-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide
SMILESO=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17FN2O3/c19-15-8-6-14(7-9-15)18(10-1-2-11-18)20-17(22)13-4-3-5-16(12-13)21(23)24/h3-9,12H,1-2,10-11H2,(H,20,22)
InChIKeyPABHCLOUDKLWJT-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide

N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide (PubChem CID 51126175) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide
PubChem CID51126175
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide
SMILESO=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17FN2O3/c19-15-8-6-14(7-9-15)18(10-1-2-11-18)20-17(22)13-4-3-5-16(12-13)21(23)24/h3-9,12H,1-2,10-11H2,(H,20,22)
InChIKeyPABHCLOUDKLWJT-UHFFFAOYSA-N
XLogP3.93
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.93
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-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 737682
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392
2-chloro-2-(4-fluorophenyl)-1-(3-nitrophenyl)ethanone
CID 81242654

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide (CID 51126175) is N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide is O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide?
The InChIKey is PABHCLOUDKLWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-15-8-6-14(7-9-15)18(10-1-2-11-18)20-17(22)13-4-3-5-16(12-13)21(23)24/h3-9,12H,1-2,10-11H2,(H,20,22).
What are the key properties of N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide?
N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide has a molecular weight of 328.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopentyl]-3-nitrobenzamide is sourced from PubChem (CID 51126175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).