4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide

C22H23F3N2O3 — CID 91912977

IUPAC4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O3/c1-30-16-11-9-14(10-12-16)20(28)27-19-8-4-6-17(19)21(29)26-13-15-5-2-3-7-18(15)22(23,24)25/h2-3,5,7,9-12,17,19H,4,6,8,13H2,1H3,(H,26,29)(H,27,28)/t17-,19+/m0/s1
InChIKeyKAIRENYZCWBUIZ-PKOBYXMFSA-N
MW420.43 g/mol
LogP3.93
Rot. Bonds6

About 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide

4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide (PubChem CID 91912977) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide
PubChem CID91912977
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H23F3N2O3/c1-30-16-11-9-14(10-12-16)20(28)27-19-8-4-6-17(19)21(29)26-13-15-5-2-3-7-18(15)22(23,24)25/h2-3,5,7,9-12,17,19H,4,6,8,13H2,1H3,(H,26,29)(H,27,28)/t17-,19+/m0/s1
InChIKeyKAIRENYZCWBUIZ-PKOBYXMFSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide (CID 91912977) is 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide is COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide?
The InChIKey is KAIRENYZCWBUIZ-PKOBYXMFSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-30-16-11-9-14(10-12-16)20(28)27-19-8-4-6-17(19)21(29)26-13-15-5-2-3-7-18(15)22(23,24)25/h2-3,5,7,9-12,17,19H,4,6,8,13H2,1H3,(H,26,29)(H,27,28)/t17-,19+/m0/s1.
What are the key properties of 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide?
4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide has a molecular weight of 420.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R,2S)-2-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentyl]benzamide is sourced from PubChem (CID 91912977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).