N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide

C13H15FN2O3 — CID 63954339

IUPACN-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15FN2O3/c1-2-15(8-9-3-4-9)13(17)11-7-10(14)5-6-12(11)16(18)19/h5-7,9H,2-4,8H2,1H3
InChIKeyWUFVZQJAECGAOO-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.61
Rot. Bonds5

About N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide

N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide (PubChem CID 63954339) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
PubChem CID63954339
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15FN2O3/c1-2-15(8-9-3-4-9)13(17)11-7-10(14)5-6-12(11)16(18)19/h5-7,9H,2-4,8H2,1H3
InChIKeyWUFVZQJAECGAOO-UHFFFAOYSA-N
XLogP2.61
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
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-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 107398303
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
N-ethyl-5-fluoro-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 61435608
N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-2-nitrobenzamide
CID 63103856
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145
3-[ethyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 61006784
2-[cyclopropylmethyl(ethyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 63957017
N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107399082
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327
N-(cyclopropylmethyl)-3-fluoro-4-nitro-N-propylbenzamide
CID 62680227
N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
CID 107399084
5-fluoro-N-methyl-2-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443365

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide (CID 63954339) is N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide is CCN(CC1CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide?
The InChIKey is WUFVZQJAECGAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-2-15(8-9-3-4-9)13(17)11-7-10(14)5-6-12(11)16(18)19/h5-7,9H,2-4,8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide?
N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide has a molecular weight of 266.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide is sourced from PubChem (CID 63954339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).