N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide

C14H18FN3O3 — CID 103297765

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NC(C)(CN)C2CC2)c1F
InChIInChI=1S/C14H18FN3O3/c1-8-5-10(18(20)21)6-11(12(8)15)13(19)17-14(2,7-16)9-3-4-9/h5-6,9H,3-4,7,16H2,1-2H3,(H,17,19)
InChIKeyOALZBRPYIZYXMM-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.90
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide (PubChem CID 103297765) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
PubChem CID103297765
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NC(C)(CN)C2CC2)c1F
InChIInChI=1S/C14H18FN3O3/c1-8-5-10(18(20)21)6-11(12(8)15)13(19)17-14(2,7-16)9-3-4-9/h5-6,9H,3-4,7,16H2,1-2H3,(H,17,19)
InChIKeyOALZBRPYIZYXMM-UHFFFAOYSA-N
XLogP1.90
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.90
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-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-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

3-Nitro-N-[(1r)-1-Phenylethyl]-5-(Trifluoromethyl)benzamide
CID 57339440
N-(cyclohexylmethyl)-3-nitrobenzamide
CID 2989425
N-(cyclopropylmethyl)-3,5-dinitrobenzamide
CID 4374687
N-(2-Aminoethyl)-3-nitrobenzamide
CID 10679922
N-(2-methylpropyl)-3,5-dinitrobenzamide
CID 3113354
[(1R)-1-[[(2S)-2-[(4-fluoro-3-nitrobenzoyl)amino]-4-methylpentanoyl]amino]-3-methylbutyl]boronic acid
CID 155514484
3-nitro-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzamide
CID 774427
N-(2-ethylhexyl)-3,5-dinitrobenzamide
CID 2787540
1-(3-Nitrobenzoyl)piperazine
CID 2760217
4-fluoro-N-methyl-3-nitrobenzamide
CID 21884186
N-(1-isopropyl-2-methylpropyl)-2-methyl-3-nitrobenzamide
CID 881547
3-nitro-N-[1-oxo-1-(propylamino)butan-2-yl]benzamide
CID 44142922

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide (CID 103297765) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)NC(C)(CN)C2CC2)c1F.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
The InChIKey is OALZBRPYIZYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-8-5-10(18(20)21)6-11(12(8)15)13(19)17-14(2,7-16)9-3-4-9/h5-6,9H,3-4,7,16H2,1-2H3,(H,17,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide has a molecular weight of 295.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).