2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide

C14H18FN3O3 — CID 81307584

IUPAC2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide
SMILESNC1(CC(=O)Nc2c(F)cccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C14H18FN3O3/c15-10-5-4-6-11(18(20)21)13(10)17-12(19)9-14(16)7-2-1-3-8-14/h4-6H,1-3,7-9,16H2,(H,17,19)
InChIKeyUTKOTKGGAPUZDH-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.72
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide

2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide (PubChem CID 81307584) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide
PubChem CID81307584
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide
SMILESNC1(CC(=O)Nc2c(F)cccc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C14H18FN3O3/c15-10-5-4-6-11(18(20)21)13(10)17-12(19)9-14(16)7-2-1-3-8-14/h4-6H,1-3,7-9,16H2,(H,17,19)
InChIKeyUTKOTKGGAPUZDH-UHFFFAOYSA-N
XLogP2.72
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.72
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'}

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Related Compounds

2-(1-aminocyclobutyl)-N-(2-bromo-6-fluorophenyl)acetamide
CID 107599843
5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
CID 81310195
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
CID 81310912
4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310551
2-(1-aminocyclopentyl)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864692
2-[2-(2-fluoro-6-nitroanilino)-2-oxoethoxy]acetic acid
CID 81309953
2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79853601
3-(tert-butylamino)-N-(2-fluoro-6-nitrophenyl)propanamide
CID 81311088
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
1-[(2-fluoro-6-nitroanilino)methyl]cyclopropane-1-carboxylic acid
CID 112740585

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide (CID 81307584) is 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide is NC1(CC(=O)Nc2c(F)cccc2[N+](=O)[O-])CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide?
The InChIKey is UTKOTKGGAPUZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c15-10-5-4-6-11(18(20)21)13(10)17-12(19)9-14(16)7-2-1-3-8-14/h4-6H,1-3,7-9,16H2,(H,17,19).
What are the key properties of 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide?
2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide has a molecular weight of 295.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(2-fluoro-6-nitrophenyl)acetamide is sourced from PubChem (CID 81307584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).