N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide

C12H14FN3O3 — CID 115301155

IUPACN-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
SMILESNC(CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1
InChIInChI=1S/C12H14FN3O3/c13-10-5-8(16(18)19)3-4-9(10)12(17)15-6-11(14)7-1-2-7/h3-5,7,11H,1-2,6,14H2,(H,15,17)
InChIKeyINPKYBBKRKTWHO-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.20
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide

N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide (PubChem CID 115301155) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
PubChem CID115301155
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
SMILESNC(CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1
InChIInChI=1S/C12H14FN3O3/c13-10-5-8(16(18)19)3-4-9(10)12(17)15-6-11(14)7-1-2-7/h3-5,7,11H,1-2,6,14H2,(H,15,17)
InChIKeyINPKYBBKRKTWHO-UHFFFAOYSA-N
XLogP1.20
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-cyclopropylethyl)-2-fluoro-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-(2-bromo-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
CID 113275950
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-nitrobenzamide
CID 115301113
N-(2-amino-2-cyclopropylethyl)-4-nitrobenzamide
CID 115301175
3-[(2-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167285
N-(2-bromo-3-ethylpentyl)-2-fluoro-4-nitrobenzamide
CID 106288125
N-(2-cyclopropyl-2-hydroxyethyl)-2-fluoro-5-nitrobenzamide
CID 63298381
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-fluoro-4-nitrobenzamide
CID 111451339
2-[[(2-fluoro-4-nitrobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65215598
N-[(2-bromocyclopentyl)methyl]-2-fluoro-4-nitrobenzamide
CID 114313844
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
N-cyclopentyloxy-2-fluoro-4-nitrobenzamide
CID 83202341
N-(2-bromo-2-cyclopropylethyl)-2-methyl-4-nitrobenzamide
CID 113275982

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide (CID 115301155) is N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide is NC(CNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide?
The InChIKey is INPKYBBKRKTWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-10-5-8(16(18)19)3-4-9(10)12(17)15-6-11(14)7-1-2-7/h3-5,7,11H,1-2,6,14H2,(H,15,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide?
N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide has a molecular weight of 267.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide is sourced from PubChem (CID 115301155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).