2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide

C24H24FN3O4 — CID 108540506

IUPAC2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(F)c1
InChIInChI=1S/C24H24FN3O4/c25-17-6-4-5-15(13-17)21(29)26-11-12-27-22(30)16-9-10-19-20(14-16)24(32)28(23(19)31)18-7-2-1-3-8-18/h4-6,9-10,13-14,18H,1-3,7-8,11-12H2,(H,26,29)(H,27,30)
InChIKeyUNBFDTQWANHMMD-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.91
Rot. Bonds6

About 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108540506) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID108540506
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(F)c1
InChIInChI=1S/C24H24FN3O4/c25-17-6-4-5-15(13-17)21(29)26-11-12-27-22(30)16-9-10-19-20(14-16)24(32)28(23(19)31)18-7-2-1-3-8-18/h4-6,9-10,13-14,18H,1-3,7-8,11-12H2,(H,26,29)(H,27,30)
InChIKeyUNBFDTQWANHMMD-UHFFFAOYSA-N
XLogP2.91
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540023
2-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108538044
phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate
CID 108571993
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]isoindole-5-carboxamide
CID 108934796
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-1,3-dioxo-N-(2-phenoxyethyl)isoindole-5-carboxamide
CID 27758114
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-cyclohexyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86820762

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 108540506) is 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide is O=C(NCCNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1cccc(F)c1.
What is the InChIKey of 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is UNBFDTQWANHMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c25-17-6-4-5-15(13-17)21(29)26-11-12-27-22(30)16-9-10-19-20(14-16)24(32)28(23(19)31)18-7-2-1-3-8-18/h4-6,9-10,13-14,18H,1-3,7-8,11-12H2,(H,26,29)(H,27,30).
What are the key properties of 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108540506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).