N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide

C16H17F3N2O2 — CID 131913825

IUPACN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O
InChIInChI=1S/C16H17F3N2O2/c1-9-6-7-10(16(17,18)19)8-12(9)15(23)21-13-5-3-2-4-11(13)14(20)22/h2-3,6-8,11,13H,4-5H2,1H3,(H2,20,22)(H,21,23)/t11-,13-/m1/s1
InChIKeyGMLADRBKBHGHAF-DGCLKSJQSA-N
MW326.32 g/mol
LogP2.56
Rot. Bonds3

About N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide

N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide (PubChem CID 131913825) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide
PubChem CID131913825
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC NameN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O
InChIInChI=1S/C16H17F3N2O2/c1-9-6-7-10(16(17,18)19)8-12(9)15(23)21-13-5-3-2-4-11(13)14(20)22/h2-3,6-8,11,13H,4-5H2,1H3,(H2,20,22)(H,21,23)/t11-,13-/m1/s1
InChIKeyGMLADRBKBHGHAF-DGCLKSJQSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)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

N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-chloro-6-fluoro-3-methylbenzamide
CID 131934064
N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-2-methyl-5-(trifluoromethyl)benzamide
CID 133128408
N-cycloheptyl-2,5-bis(trifluoromethyl)benzamide
CID 154183333
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 131927818
2-[2-methyl-5-(trifluoromethyl)anilino]cyclobutane-1-carboxylic acid
CID 103255428
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
CID 122565327
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-2H-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)benzamide
CID 59866217
N-[(1S,6S)-6-carbamoylcyclohex-3-en-1-yl]-3-methylimidazole-4-carboxamide
CID 164634186
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-(4-methoxyphenyl)benzamide
CID 131935116
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide (CID 131913825) is N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide is Cc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC=CC[C@H]1C(N)=O.
What is the InChIKey of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is GMLADRBKBHGHAF-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c1-9-6-7-10(16(17,18)19)8-12(9)15(23)21-13-5-3-2-4-11(13)14(20)22/h2-3,6-8,11,13H,4-5H2,1H3,(H2,20,22)(H,21,23)/t11-,13-/m1/s1.
What are the key properties of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide?
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 326.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 131913825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).