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

C22H23F3N2O4 — CID 91912986

IUPAC4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H23F3N2O4/c1-30-16-11-7-15(8-12-16)20(28)27-19-4-2-3-18(19)21(29)26-13-14-5-9-17(10-6-14)31-22(23,24)25/h5-12,18-19H,2-4,13H2,1H3,(H,26,29)(H,27,28)/t18-,19+/m0/s1
InChIKeyCOJZNTYTAJBXDG-RBUKOAKNSA-N
MW436.43 g/mol
LogP3.81
Rot. Bonds7

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

4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide (PubChem CID 91912986) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide
PubChem CID91912986
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H23F3N2O4/c1-30-16-11-7-15(8-12-16)20(28)27-19-4-2-3-18(19)21(29)26-13-14-5-9-17(10-6-14)31-22(23,24)25/h5-12,18-19H,2-4,13H2,1H3,(H,26,29)(H,27,28)/t18-,19+/m0/s1
InChIKeyCOJZNTYTAJBXDG-RBUKOAKNSA-N
XLogP3.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide (CID 91912986) is 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide is COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide?
The InChIKey is COJZNTYTAJBXDG-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c1-30-16-11-7-15(8-12-16)20(28)27-19-4-2-3-18(19)21(29)26-13-14-5-9-17(10-6-14)31-22(23,24)25/h5-12,18-19H,2-4,13H2,1H3,(H,26,29)(H,27,28)/t18-,19+/m0/s1.
What are the key properties of 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide?
4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide has a molecular weight of 436.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R,2S)-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentyl]benzamide is sourced from PubChem (CID 91912986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).