N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide

C13H15FN2O3 — CID 62680223

IUPACN-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8(9-3-4-9)15(2)13(17)10-5-6-12(16(18)19)11(14)7-10/h5-9H,3-4H2,1-2H3
InChIKeyOCXAQMNNZCEHBG-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.60
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide

N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide (PubChem CID 62680223) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
PubChem CID62680223
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C13H15FN2O3/c1-8(9-3-4-9)15(2)13(17)10-5-6-12(16(18)19)11(14)7-10/h5-9H,3-4H2,1-2H3
InChIKeyOCXAQMNNZCEHBG-UHFFFAOYSA-N
XLogP2.60
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.60
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'}

Analyze N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylethyl)-4-hydrazinyl-N-methyl-3-nitrobenzamide
CID 62242335
2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122979
3-fluoro-N-methyl-N-(4-methylpentan-2-yl)-4-nitrobenzamide
CID 62681818
3-amino-N-(1-cyclopropylethyl)-4-fluoro-N-methylbenzamide
CID 43568628
N-(1-cyclopropylethyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121820
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 62682016
3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
CID 62682180
2-[(3-fluoro-4-nitrobenzoyl)-propan-2-ylamino]acetic acid
CID 62682509
N-ethyl-3-fluoro-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680393
2-[(3-fluoro-4-nitrobenzoyl)-methylamino]-2-methylpropanoic acid
CID 62818856
N-ethyl-3-fluoro-N-(2-methylbutyl)-4-nitrobenzamide
CID 79482385

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide (CID 62680223) is N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide is CC(C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide?
The InChIKey is OCXAQMNNZCEHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8(9-3-4-9)15(2)13(17)10-5-6-12(16(18)19)11(14)7-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide?
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide has a molecular weight of 266.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide is sourced from PubChem (CID 62680223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).