2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide

C25H26F2N2O5 — CID 27883546

IUPAC2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1OC(F)F
InChIInChI=1S/C25H26F2N2O5/c1-33-21-13-15(7-10-20(21)34-25(26)27)11-12-28-22(30)16-8-9-18-19(14-16)24(32)29(23(18)31)17-5-3-2-4-6-17/h7-10,13-14,17,25H,2-6,11-12H2,1H3,(H,28,30)
InChIKeyAMLRQCBEWQYKKP-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.20
Rot. Bonds8

About 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 27883546) has the molecular formula C25H26F2N2O5 and a molecular weight of 472.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID27883546
Molecular FormulaC25H26F2N2O5
Molecular Weight472.49 g/mol
Exact Mass472.18
IUPAC Name2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1OC(F)F
InChIInChI=1S/C25H26F2N2O5/c1-33-21-13-15(7-10-20(21)34-25(26)27)11-12-28-22(30)16-8-9-18-19(14-16)24(32)29(23(18)31)17-5-3-2-4-6-17/h7-10,13-14,17,25H,2-6,11-12H2,1H3,(H,28,30)
InChIKeyAMLRQCBEWQYKKP-UHFFFAOYSA-N
XLogP4.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-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

Cdc-801
CID 9844338
7H-1,3-Benzodioxolo[4,5-f]isoindol-7-one, 10-(3,4-dimethoxyphenyl)-8,9-dihydro-
CID 5273796
N-(2-(3,4-Dimethoxyphenyl)ethyl)phthalimide
CID 3996345
7,8-dimethoxy-5-((1-(methylsulfonyl)piperidin-4-ylamino)methyl)-1H-benzo[e]isoindole-1,3(2H)-dione (8d)
CID 91937769
7,8-dimethoxy-5-((1-(4-(trifluoromethyl)phenylsulfonyl)piperidin-4-ylamino)methyl)-1Hbenzo[e]isoindole-1,3 (2H)-dione (8e)
CID 91937770
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 3237226
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
CID 5307936
2-(4,4-difluorocyclohexyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 69003776
(2R)-2-[[amino-[[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-phenylpropanamide
CID 90285955
CC-1069
CID 461663
Methyl 3-phthalimido-3-(3,4-dimethoxyphenyl)propionate
CID 461664

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 27883546) is 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide is COc1cc(CCNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)ccc1OC(F)F.
What is the InChIKey of 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is AMLRQCBEWQYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O5/c1-33-21-13-15(7-10-20(21)34-25(26)27)11-12-28-22(30)16-8-9-18-19(14-16)24(32)29(23(18)31)17-5-3-2-4-6-17/h7-10,13-14,17,25H,2-6,11-12H2,1H3,(H,28,30).
What are the key properties of 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 472.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 27883546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).