2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide

C14H18FN3O3 — CID 107122880

IUPAC2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1c(F)ccc([N+](=O)[O-])c1N)C1CCCCC1
InChIInChI=1S/C14H18FN3O3/c1-17(9-5-3-2-4-6-9)14(19)12-10(15)7-8-11(13(12)16)18(20)21/h7-9H,2-6,16H2,1H3
InChIKeyABKBTOWINHNVGA-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide

2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide (PubChem CID 107122880) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide
PubChem CID107122880
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1c(F)ccc([N+](=O)[O-])c1N)C1CCCCC1
InChIInChI=1S/C14H18FN3O3/c1-17(9-5-3-2-4-6-9)14(19)12-10(15)7-8-11(13(12)16)18(20)21/h7-9H,2-6,16H2,1H3
InChIKeyABKBTOWINHNVGA-UHFFFAOYSA-N
XLogP2.72
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
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-N-cyclopropyl-N-ethyl-6-fluoro-3-nitrobenzamide
CID 107122923
2-amino-N-(1-cyclopropylethyl)-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122979
5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide
CID 62156412
2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide
CID 107122863
N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 107121802
2,6-difluoro-N-methyl-3-nitro-N-(thiolan-3-yl)benzamide
CID 103852286
(2-amino-6-fluoro-3-nitrophenyl)-piperidin-1-ylmethanone
CID 107122901
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 62154937
2-amino-6-fluoro-3-nitro-N-propan-2-yl-N-propylbenzamide
CID 107122932
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
2-amino-6-fluoro-N-methyl-3-nitro-N-pyridin-2-ylbenzamide
CID 107122836
2-amino-6-fluoro-N-(3-methoxypropyl)-N-methyl-3-nitrobenzamide
CID 107123144

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide?
The IUPAC name of 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide (CID 107122880) is 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide is CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1N)C1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide?
The InChIKey is ABKBTOWINHNVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-17(9-5-3-2-4-6-9)14(19)12-10(15)7-8-11(13(12)16)18(20)21/h7-9H,2-6,16H2,1H3.
What are the key properties of 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide?
2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide has a molecular weight of 295.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 107122880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).