2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide

C22H21FN2O3 — CID 108799794

IUPAC2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCCC1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H21FN2O3/c23-15-9-11-16(12-10-15)24-20(26)17-6-2-1-5-14(17)13-25-21(27)18-7-3-4-8-19(18)22(25)28/h3-4,7-12,14,17H,1-2,5-6,13H2,(H,24,26)
InChIKeyDNZXFLVZLKIYMS-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.87
Rot. Bonds4

About 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide

2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 108799794) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID108799794
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCCC1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H21FN2O3/c23-15-9-11-16(12-10-15)24-20(26)17-6-2-1-5-14(17)13-25-21(27)18-7-3-4-8-19(18)22(25)28/h3-4,7-12,14,17H,1-2,5-6,13H2,(H,24,26)
InChIKeyDNZXFLVZLKIYMS-UHFFFAOYSA-N
XLogP3.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108786884
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 108786821
N-(3,4-dimethylphenyl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108786922
N-(4-chloro-3-nitrophenyl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799761
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 108786926
N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799768
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 108786935
N-(2,5-dimethylpyrazol-3-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799859
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 108786916
N-(4-bromo-2-methylphenyl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799774
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 108799856
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexanecarbonyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108799844

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide (CID 108799794) is 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide is O=C(Nc1ccc(F)cc1)C1CCCCC1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is DNZXFLVZLKIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c23-15-9-11-16(12-10-15)24-20(26)17-6-2-1-5-14(17)13-25-21(27)18-7-3-4-8-19(18)22(25)28/h3-4,7-12,14,17H,1-2,5-6,13H2,(H,24,26).
What are the key properties of 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide?
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 108799794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).