N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

C26H25FN2O2 — CID 68770301

IUPACN-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccccc1
InChIInChI=1S/C26H25FN2O2/c1-26(2,3)28-24(30)23-21-11-7-8-12-22(21)25(31)29(23)16-18-15-19(27)13-14-20(18)17-9-5-4-6-10-17/h4-15,23H,16H2,1-3H3,(H,28,30)
InChIKeyHVNDSMXIHVHCOQ-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.10
Rot. Bonds4

About N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide

N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68770301) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68770301
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC NameN-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccccc1
InChIInChI=1S/C26H25FN2O2/c1-26(2,3)28-24(30)23-21-11-7-8-12-22(21)25(31)29(23)16-18-15-19(27)13-14-20(18)17-9-5-4-6-10-17/h4-15,23H,16H2,1-3H3,(H,28,30)
InChIKeyHVNDSMXIHVHCOQ-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide with MolForge

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Related Compounds

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Nvp-dky709
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Itareparib
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(R)-Thalidomide
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N-(2-Oxo-3-piperidyl)phthalimide
CID 135339
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-4-fluoro-
CID 11859051
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-2,3-dihydro-1H-isoindole-1,3-dione
CID 70876201
Teijin-lead_cmp_5
CID 44353447
N-(diphenylmethyl)-2-[(4-fluorophenyl)formamido]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide (CID 68770301) is N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is CC(C)(C)NC(=O)C1c2ccccc2C(=O)N1Cc1cc(F)ccc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is HVNDSMXIHVHCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-26(2,3)28-24(30)23-21-11-7-8-12-22(21)25(31)29(23)16-18-15-19(27)13-14-20(18)17-9-5-4-6-10-17/h4-15,23H,16H2,1-3H3,(H,28,30).
What are the key properties of N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide?
N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68770301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).