6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide

C23H26F5N3O6 — CID 123872036

IUPAC6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)NC1CCC(OC2=CCC(OC(F)(F)F)C=C2C(=O)NCCO)C1
InChIInChI=1S/C23H26F5N3O6/c24-21(25)36-15-3-1-2-13(10-15)30-22(34)31-14-4-5-16(11-14)35-19-7-6-17(37-23(26,27)28)12-18(19)20(33)29-8-9-32/h1-3,7,10,12,14,16-17,21,32H,4-6,8-9,11H2,(H,29,33)(H2,30,31,34)
InChIKeyXEFGZUKUACDBQA-UHFFFAOYSA-N
MW535.47 g/mol
LogP3.57
Rot. Bonds10

About 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide

6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 123872036) has the molecular formula C23H26F5N3O6 and a molecular weight of 535.47 g/mol. Its IUPAC name is 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide
PubChem CID123872036
Molecular FormulaC23H26F5N3O6
Molecular Weight535.47 g/mol
Exact Mass535.17
IUPAC Name6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)NC1CCC(OC2=CCC(OC(F)(F)F)C=C2C(=O)NCCO)C1
InChIInChI=1S/C23H26F5N3O6/c24-21(25)36-15-3-1-2-13(10-15)30-22(34)31-14-4-5-16(11-14)35-19-7-6-17(37-23(26,27)28)12-18(19)20(33)29-8-9-32/h1-3,7,10,12,14,16-17,21,32H,4-6,8-9,11H2,(H,29,33)(H2,30,31,34)
InChIKeyXEFGZUKUACDBQA-UHFFFAOYSA-N
XLogP3.57
TPSA118.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.47
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide 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

5-(1,1-difluoroethoxy)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxybenzamide
CID 122660559
1-[3-(difluoromethoxy)phenyl]-3-(oxan-4-yl)urea
CID 86776784
1-[(1S,3S)-3-[4-(1,1-difluoroethyl)phenoxy]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156724550
N-propyl-2-(trifluoromethoxy)-5-[[3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]cyclopentyl]methyl]benzamide
CID 122660585
1-[3-[3-(4-piperidin-1-ylbutanoyl)-4-(trifluoromethoxy)phenoxy]cyclopentyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 159484984
2-(cyclopentylamino)-N-[3-(difluoromethoxy)phenyl]acetamide
CID 60849036
methyl 3-[[3-(difluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 56823494
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
1-[3-(difluoromethoxy)phenyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111473727
3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754052
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
1-[3-[3-(1-hydroxyethylamino)-4-(trifluoromethoxy)phenoxy]cyclopentyl]-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 144808226

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide (CID 123872036) is 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide is O=C(Nc1cccc(OC(F)F)c1)NC1CCC(OC2=CCC(OC(F)(F)F)C=C2C(=O)NCCO)C1.
What is the InChIKey of 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is XEFGZUKUACDBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F5N3O6/c24-21(25)36-15-3-1-2-13(10-15)30-22(34)31-14-4-5-16(11-14)35-19-7-6-17(37-23(26,27)28)12-18(19)20(33)29-8-9-32/h1-3,7,10,12,14,16-17,21,32H,4-6,8-9,11H2,(H,29,33)(H2,30,31,34).
What are the key properties of 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide?
6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 535.47 g/mol, XLogP of 3.57, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[3-(difluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxy-N-(2-hydroxyethyl)-3-(trifluoromethoxy)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 123872036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).