N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide

C27H29F3N2O3 — CID 3980973

IUPACN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H29F3N2O3/c28-27(29,30)21-9-3-8-19(13-21)25(33)31-22-10-4-7-18(14-22)24-15-20-16-32(12-11-23(20)35-24)26(34)17-5-1-2-6-17/h3-4,7-10,13-14,17,20,23-24H,1-2,5-6,11-12,15-16H2,(H,31,33)
InChIKeyRTEUZODMWOSVSY-UHFFFAOYSA-N
MW486.53 g/mol
LogP5.83
Rot. Bonds4

About N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 3980973) has the molecular formula C27H29F3N2O3 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID3980973
Molecular FormulaC27H29F3N2O3
Molecular Weight486.53 g/mol
Exact Mass486.21
IUPAC NameN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H29F3N2O3/c28-27(29,30)21-9-3-8-19(13-21)25(33)31-22-10-4-7-18(14-22)24-15-20-16-32(12-11-23(20)35-24)26(34)17-5-1-2-6-17/h3-4,7-10,13-14,17,20,23-24H,1-2,5-6,11-12,15-16H2,(H,31,33)
InChIKeyRTEUZODMWOSVSY-UHFFFAOYSA-N
XLogP5.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 4038804
N-[3-[(2R,3aS,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopentanecarboxamide
CID 11894641
N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 11906634
N-[3-[(2S,3aS,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dichloroacetamide
CID 11903343
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
CID 3515679
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
oxan-4-yl-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]methanone
CID 42565887
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 3980973) is N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RTEUZODMWOSVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O3/c28-27(29,30)21-9-3-8-19(13-21)25(33)31-22-10-4-7-18(14-22)24-15-20-16-32(12-11-23(20)35-24)26(34)17-5-1-2-6-17/h3-4,7-10,13-14,17,20,23-24H,1-2,5-6,11-12,15-16H2,(H,31,33).
What are the key properties of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 486.53 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3980973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).