2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide

C14H18FN3O3 — CID 107123224

IUPAC2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1C
InChIInChI=1S/C14H18FN3O3/c1-7-3-4-11(8(7)2)17-14(19)10-5-9(15)6-12(13(10)16)18(20)21/h5-8,11H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyKGIKGZLOHRFVQS-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide

2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide (PubChem CID 107123224) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide
PubChem CID107123224
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1C
InChIInChI=1S/C14H18FN3O3/c1-7-3-4-11(8(7)2)17-14(19)10-5-9(15)6-12(13(10)16)18(20)21/h5-8,11H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyKGIKGZLOHRFVQS-UHFFFAOYSA-N
XLogP2.48
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-fluoro-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120556694
2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide
CID 115936836
2-amino-5-fluoro-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 103720356
2-amino-5-fluoro-N-(2-methoxycyclopentyl)-3-nitrobenzamide
CID 107123005
2-amino-5-fluoro-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103889482
2-amino-N-[2-(aminomethyl)cyclopentyl]-5-fluoro-3-nitrobenzamide;hydrochloride
CID 119602993
2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
CID 107123296
N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937217
2-amino-5-fluoro-3-nitro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55820931
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-fluoro-3-nitrobenzamide
CID 107123097
2-amino-5-fluoro-3-nitrobenzoic acid;ethane
CID 144759902
5-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)-2-nitrobenzamide
CID 120553465

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide (CID 107123224) is 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide is CC1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1C.
What is the InChIKey of 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide?
The InChIKey is KGIKGZLOHRFVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-7-3-4-11(8(7)2)17-14(19)10-5-9(15)6-12(13(10)16)18(20)21/h5-8,11H,3-4,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide?
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide has a molecular weight of 295.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide is sourced from PubChem (CID 107123224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).