N-cyclopropyl-4-fluoro-2-nitrobenzamide

C10H9FN2O3 — CID 112698911

IUPACN-cyclopropyl-4-fluoro-2-nitrobenzamide
SMILESO=C(NC1CC1)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9FN2O3/c11-6-1-4-8(9(5-6)13(15)16)10(14)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,14)
InChIKeyDRHLASCFSWBFMV-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.63
Rot. Bonds3

About N-cyclopropyl-4-fluoro-2-nitrobenzamide

N-cyclopropyl-4-fluoro-2-nitrobenzamide (PubChem CID 112698911) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-2-nitrobenzamide
PubChem CID112698911
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC NameN-cyclopropyl-4-fluoro-2-nitrobenzamide
SMILESO=C(NC1CC1)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H9FN2O3/c11-6-1-4-8(9(5-6)13(15)16)10(14)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,14)
InChIKeyDRHLASCFSWBFMV-UHFFFAOYSA-N
XLogP1.63
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.63
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-(2-bromocyclopentyl)-4-fluoro-2-nitrobenzamide
CID 113417422
N-(4-chlorocyclohexyl)-4,5-difluoro-2-nitrobenzamide
CID 114296950
5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
N-(4-aminocyclohexyl)-4-chloro-2-nitrobenzamide
CID 62313306
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119601035
N-(cyclopropylmethoxy)-4-fluoro-2-nitrobenzamide
CID 139999053
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 55042740
N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
CID 156846136
N-[(4-bromocyclohexyl)methyl]-4-fluoro-2-nitrobenzamide
CID 106134710
N-(4-isocyanocyclohexyl)-2-nitrobenzamide
CID 123970448
2,4-difluoro-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
CID 43508871

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-2-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-2-nitrobenzamide (CID 112698911) is N-cyclopropyl-4-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-2-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-2-nitrobenzamide is O=C(NC1CC1)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-4-fluoro-2-nitrobenzamide?
The InChIKey is DRHLASCFSWBFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c11-6-1-4-8(9(5-6)13(15)16)10(14)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,14).
What are the key properties of N-cyclopropyl-4-fluoro-2-nitrobenzamide?
N-cyclopropyl-4-fluoro-2-nitrobenzamide has a molecular weight of 224.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-2-nitrobenzamide is sourced from PubChem (CID 112698911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).