3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide

C13H16FN3O3 — CID 63042162

IUPAC3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C13H16FN3O3/c14-11-5-4-10(17(19)20)7-12(11)16-13(18)8-2-1-3-9(15)6-8/h4-5,7-9H,1-3,6,15H2,(H,16,18)
InChIKeyAQNDETCRLZPUQU-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.19
Rot. Bonds3

About 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide

3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide (PubChem CID 63042162) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
PubChem CID63042162
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C13H16FN3O3/c14-11-5-4-10(17(19)20)7-12(11)16-13(18)8-2-1-3-9(15)6-8/h4-5,7-9H,1-3,6,15H2,(H,16,18)
InChIKeyAQNDETCRLZPUQU-UHFFFAOYSA-N
XLogP2.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.19
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 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide 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-fluoro-5-nitrophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60528238
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
N-(2-fluoro-5-nitrophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890637
3-amino-N-(4-fluoro-3-nitrophenyl)cyclopentane-1-carboxamide
CID 66010185
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431
3-amino-N-(2-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 55147503

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide (CID 63042162) is 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cc([N+](=O)[O-])ccc2F)C1.
What is the InChIKey of 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide?
The InChIKey is AQNDETCRLZPUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c14-11-5-4-10(17(19)20)7-12(11)16-13(18)8-2-1-3-9(15)6-8/h4-5,7-9H,1-3,6,15H2,(H,16,18).
What are the key properties of 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide?
3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63042162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).