N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide

C11H11FN2O3 — CID 156846136

IUPACN-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
SMILESCc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC1
InChIInChI=1S/C11H11FN2O3/c1-6-4-9(12)10(14(16)17)5-8(6)11(15)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,15)
InChIKeyWZAIINVJEWMFGC-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.93
Rot. Bonds3

About N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide

N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide (PubChem CID 156846136) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
PubChem CID156846136
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC NameN-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide
SMILESCc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC1
InChIInChI=1S/C11H11FN2O3/c1-6-4-9(12)10(14(16)17)5-8(6)11(15)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,15)
InChIKeyWZAIINVJEWMFGC-UHFFFAOYSA-N
XLogP1.93
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.93
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

2,4-difluoro-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
CID 43508871
2,5-difluoro-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
CID 67159216
N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 55042740
N-(4-chlorocyclohexyl)-4,5-difluoro-2-nitrobenzamide
CID 114296950
N-cyclopropyl-4-fluoro-2-nitrobenzamide
CID 112698911
3-[(2,4-dimethyl-5-nitrobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 122109441
2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
CID 113322132
(4-fluoro-2-methyl-5-nitrophenyl)-phenylmethanone
CID 163843120
2-fluoro-3-methyl-N-(4-methylcyclohexyl)-5-nitrobenzamide
CID 103297073
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
N-cyclopropyl-5-(methylamino)-2-nitrobenzamide
CID 62172017
4-fluoro-2-methyl-5-nitro-N-(5-trimethylsilylpyrimidin-2-yl)benzamide
CID 167766441

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide (CID 156846136) is N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide is Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide?
The InChIKey is WZAIINVJEWMFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-6-4-9(12)10(14(16)17)5-8(6)11(15)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide?
N-cyclopropyl-4-fluoro-2-methyl-5-nitrobenzamide has a molecular weight of 238.22 g/mol, XLogP of 1.93, 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-methyl-5-nitrobenzamide is sourced from PubChem (CID 156846136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).