methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate

C23H18F7NO3 — CID 92767904

IUPACmethyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
SMILESCOC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C23H18F7NO3/c1-34-21(33)19(17-4-2-3-5-18(17)24)12-6-7-16(10-12)31-20(32)13-8-14(22(25,26)27)11-15(9-13)23(28,29)30/h2-9,11-12,16,19H,10H2,1H3,(H,31,32)/t12-,16+,19+/m1/s1
InChIKeyFODNEONSOZUCPZ-GFJSAUFNSA-N
MW489.39 g/mol
LogP5.49
Rot. Bonds5

About methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate

methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate (PubChem CID 92767904) has the molecular formula C23H18F7NO3 and a molecular weight of 489.39 g/mol. Its IUPAC name is methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
PubChem CID92767904
Molecular FormulaC23H18F7NO3
Molecular Weight489.39 g/mol
Exact Mass489.12
IUPAC Namemethyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
SMILESCOC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C23H18F7NO3/c1-34-21(33)19(17-4-2-3-5-18(17)24)12-6-7-16(10-12)31-20(32)13-8-14(22(25,26)27)11-15(9-13)23(28,29)30/h2-9,11-12,16,19H,10H2,1H3,(H,31,32)/t12-,16+,19+/m1/s1
InChIKeyFODNEONSOZUCPZ-GFJSAUFNSA-N
XLogP5.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.39
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate 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

methyl (2S)-2-[(1S,4S)-4-[(3,5-dichlorobenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
CID 93295589
methyl 2-(2-fluorophenyl)-2-[4-[(2,4,6-trifluorobenzoyl)amino]cyclopent-2-en-1-yl]acetate
CID 46102407
methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
CID 71958472
methyl 2-[4-[(3-chlorothiophene-2-carbonyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
CID 46102406
methyl (2S)-2-[(1S,4S)-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
CID 93310120
methyl (2S)-2-(2-chloro-4-fluorophenyl)-2-[(1S,4R)-4-[(2-methoxybenzoyl)amino]cyclopent-2-en-1-yl]acetate
CID 92761001
methyl 2-(2-chloro-4-fluorophenyl)-2-[4-[[2-(difluoromethylsulfanyl)benzoyl]amino]cyclopent-2-en-1-yl]acetate
CID 46102415
methyl 2-(4-methoxyphenyl)-2-[4-[(2,4,5-trifluorobenzoyl)amino]cyclopent-2-en-1-yl]acetate
CID 46102372
ethyl (2S)-2-(2,5-dimethoxyphenyl)-2-[(1R,4S)-4-(naphthalene-2-carbonylamino)cyclopent-2-en-1-yl]acetate
CID 93310104
methyl (2S)-2-(2-chloro-4-fluorophenyl)-2-[(1R,4S)-4-[(2,2-diphenylacetyl)amino]cyclopent-2-en-1-yl]acetate
CID 93313875
ethyl 2-[4-[[2,6-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2,5-dimethoxyphenyl)acetate
CID 46102375
ethyl 2-[4-[(3,5-difluorobenzoyl)amino]cyclopent-2-en-1-yl]-2-(3,4-dimethoxyphenyl)acetate
CID 46082530

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate?
The IUPAC name of methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate (CID 92767904) is methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate.
What is the SMILES notation for methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate?
The canonical SMILES for methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate is COC(=O)[C@H](c1ccccc1F)[C@@H]1C=C[C@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate?
The InChIKey is FODNEONSOZUCPZ-GFJSAUFNSA-N. The full InChI is InChI=1S/C23H18F7NO3/c1-34-21(33)19(17-4-2-3-5-18(17)24)12-6-7-16(10-12)31-20(32)13-8-14(22(25,26)27)11-15(9-13)23(28,29)30/h2-9,11-12,16,19H,10H2,1H3,(H,31,32)/t12-,16+,19+/m1/s1.
What are the key properties of methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate?
methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate has a molecular weight of 489.39 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1S,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 92767904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).