N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide

C19H23F3N2O3 — CID 98724622

IUPACN-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide
SMILESC[C@@H](NC(=O)CONC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H23F3N2O3/c1-11(16-8-12-5-6-13(16)7-12)23-17(25)10-27-24-18(26)14-3-2-4-15(9-14)19(20,21)22/h2-4,9,11-13,16H,5-8,10H2,1H3,(H,23,25)(H,24,26)/t11-,12+,13+,16+/m1/s1
InChIKeyKOVNKJFTCLVQPZ-DVZHBHJUSA-N
MW384.40 g/mol
LogP3.31
Rot. Bonds6

About N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide

N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide (PubChem CID 98724622) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide
PubChem CID98724622
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC NameN-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide
SMILESC[C@@H](NC(=O)CONC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H23F3N2O3/c1-11(16-8-12-5-6-13(16)7-12)23-17(25)10-27-24-18(26)14-3-2-4-15(9-14)19(20,21)22/h2-4,9,11-13,16H,5-8,10H2,1H3,(H,23,25)(H,24,26)/t11-,12+,13+,16+/m1/s1
InChIKeyKOVNKJFTCLVQPZ-DVZHBHJUSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(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

[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(2-methoxy-2-oxoethoxy)benzoate
CID 154834372
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 98399016
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 51163154
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91955190
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 4199382
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
[2-[[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 98620309
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2548756
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4964620
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530673
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-chlorophenoxy)acetamide
CID 98408218

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide (CID 98724622) is N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide is C[C@@H](NC(=O)CONC(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide?
The InChIKey is KOVNKJFTCLVQPZ-DVZHBHJUSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-11(16-8-12-5-6-13(16)7-12)23-17(25)10-27-24-18(26)14-3-2-4-15(9-14)19(20,21)22/h2-4,9,11-13,16H,5-8,10H2,1H3,(H,23,25)(H,24,26)/t11-,12+,13+,16+/m1/s1.
What are the key properties of N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide?
N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide has a molecular weight of 384.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 98724622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).