N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide

C10H9FN2O3 — CID 675675

IUPACN-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)C1CC1
InChIInChI=1S/C10H9FN2O3/c11-8-4-3-7(13(15)16)5-9(8)12-10(14)6-1-2-6/h3-6H,1-2H2,(H,12,14)
InChIKeyWPHOKOCRXFVQBA-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.08
Rot. Bonds3

About N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide

N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide (PubChem CID 675675) has the molecular formula C10H9FN2O3 and a molecular weight of 224.19 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
PubChem CID675675
Molecular FormulaC10H9FN2O3
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC NameN-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)C1CC1
InChIInChI=1S/C10H9FN2O3/c11-8-4-3-7(13(15)16)5-9(8)12-10(14)6-1-2-6/h3-6H,1-2H2,(H,12,14)
InChIKeyWPHOKOCRXFVQBA-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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

3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 63042162
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
N-(2-fluoro-5-nitrophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60528238
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
N-(2,5-difluorophenyl)-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 17026707
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-fluoro-5-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890637
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
2-(cyclopentanecarbonylamino)-4-nitrobenzoic acid
CID 63110863
(2S)-1-butanoyl-N-(2-fluoro-5-nitrophenyl)piperidine-2-carboxamide
CID 124507454

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide (CID 675675) is N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CC1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide?
The InChIKey is WPHOKOCRXFVQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3/c11-8-4-3-7(13(15)16)5-9(8)12-10(14)6-1-2-6/h3-6H,1-2H2,(H,12,14).
What are the key properties of N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide?
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide has a molecular weight of 224.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 675675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).