N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide

C11H11FN2O3 — CID 43244057

IUPACN-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
SMILESO=C(NCC1CC1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11FN2O3/c12-9-4-3-8(5-10(9)14(16)17)11(15)13-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15)
InChIKeyVIRIAUZKCLBJNM-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.87
Rot. Bonds4

About N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide

N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide (PubChem CID 43244057) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
PubChem CID43244057
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC NameN-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
SMILESO=C(NCC1CC1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11FN2O3/c12-9-4-3-8(5-10(9)14(16)17)11(15)13-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15)
InChIKeyVIRIAUZKCLBJNM-UHFFFAOYSA-N
XLogP1.87
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.87
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-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
4-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 61409750
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
4-amino-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62350667
N-(cyanomethyl)-4-fluoro-3-nitrobenzamide
CID 61249673
4-fluoro-N-[(1-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103722148
N-(2,2-dimethoxyethyl)-4-fluoro-3-nitrobenzamide
CID 61249664
N-(cyclohexylmethyl)-3-hydroxy-4-nitrobenzamide
CID 17409199
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 62681454
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide
CID 60747545
4-fluoro-3-nitro-N-sulfanylbenzamide
CID 142948721

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide (CID 43244057) is N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide is O=C(NCC1CC1)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide?
The InChIKey is VIRIAUZKCLBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-9-4-3-8(5-10(9)14(16)17)11(15)13-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,13,15).
What are the key properties of N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide?
N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide has a molecular weight of 238.22 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 43244057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).