5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide

C14H18FN3O3 — CID 62156412

IUPAC5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide
SMILESCN(C(=O)c1cc(N)c(F)cc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C14H18FN3O3/c1-17(9-5-3-2-4-6-9)14(19)10-7-12(16)11(15)8-13(10)18(20)21/h7-9H,2-6,16H2,1H3
InChIKeyTZGZWTBQYSEOTD-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.72
Rot. Bonds3

About 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide

5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide (PubChem CID 62156412) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide
PubChem CID62156412
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide
SMILESCN(C(=O)c1cc(N)c(F)cc1[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C14H18FN3O3/c1-17(9-5-3-2-4-6-9)14(19)10-7-12(16)11(15)8-13(10)18(20)21/h7-9H,2-6,16H2,1H3
InChIKeyTZGZWTBQYSEOTD-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

5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
N-cyclopropyl-4-fluoro-N-methyl-5-(methylamino)-2-nitrobenzamide
CID 62168087
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784
2-amino-N-cyclohexyl-6-fluoro-N-methyl-3-nitrobenzamide
CID 107122880
4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
N-cyclopentyl-5-ethoxy-4-methoxy-N-methyl-2-nitrobenzamide
CID 51268497
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
(5-amino-4-fluoro-2-nitrophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62152121
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 62154937
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide?
The IUPAC name of 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide (CID 62156412) is 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide is CN(C(=O)c1cc(N)c(F)cc1[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide?
The InChIKey is TZGZWTBQYSEOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-17(9-5-3-2-4-6-9)14(19)10-7-12(16)11(15)8-13(10)18(20)21/h7-9H,2-6,16H2,1H3.
What are the key properties of 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide?
5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-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 5-amino-N-cyclohexyl-4-fluoro-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 62156412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).