N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

C20H19F3N2O4 — CID 38112749

IUPACN-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(NC1CCCCC1)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)13-10-11-18(16(12-13)25(27)28)29-17-9-5-4-8-15(17)19(26)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,26)
InChIKeyUJAMMFZITHRIAO-UHFFFAOYSA-N
MW408.38 g/mol
LogP5.47
Rot. Bonds5

About N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide (PubChem CID 38112749) has the molecular formula C20H19F3N2O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
PubChem CID38112749
Molecular FormulaC20H19F3N2O4
Molecular Weight408.38 g/mol
Exact Mass408.13
IUPAC NameN-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(NC1CCCCC1)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C20H19F3N2O4/c21-20(22,23)13-10-11-18(16(12-13)25(27)28)29-17-9-5-4-8-15(17)19(26)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,26)
InChIKeyUJAMMFZITHRIAO-UHFFFAOYSA-N
XLogP5.47
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 55.47
H-Bond Donors ≤ 51
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 N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide 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

2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 8565508
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
(Z)-3-[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-2-cyano-N-cyclohexylprop-2-enamide
CID 2271605
2-nitro-N-piperidin-3-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 119428141
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
2-nitro-N-[(1R,3S)-1-oxothiolan-3-yl]-4-(trifluoromethyl)benzamide
CID 96526257
N-(1-acetylpiperidin-4-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
CID 75435434
2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862
1-cyclohexyl-3-[2-nitro-4-(trifluoromethyl)anilino]thiourea
CID 7941409
2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2779612
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
1-(5-fluoro-2-nitrophenoxy)-2-nitro-4-(trifluoromethyl)benzene
CID 9311790

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide (CID 38112749) is N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide is O=C(NC1CCCCC1)c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is UJAMMFZITHRIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O4/c21-20(22,23)13-10-11-18(16(12-13)25(27)28)29-17-9-5-4-8-15(17)19(26)24-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,24,26).
What are the key properties of N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 408.38 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 38112749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).