2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C25H25ClF4N2O2 — CID 53341118

IUPAC2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCC1(C)C(=O)N(CC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2ccc(F)cc21
InChIInChI=1S/C25H25ClF4N2O2/c1-24(2)19-12-16(27)6-10-21(19)32(23(24)34)13-14-3-7-17(8-4-14)31-22(33)18-11-15(25(28,29)30)5-9-20(18)26/h5-6,9-12,14,17H,3-4,7-8,13H2,1-2H3,(H,31,33)
InChIKeyJLBDCGICXXHDOX-UHFFFAOYSA-N
MW496.93 g/mol
LogP6.11
Rot. Bonds4

About 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 53341118) has the molecular formula C25H25ClF4N2O2 and a molecular weight of 496.93 g/mol. Its IUPAC name is 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID53341118
Molecular FormulaC25H25ClF4N2O2
Molecular Weight496.93 g/mol
Exact Mass496.15
IUPAC Name2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCC1(C)C(=O)N(CC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2ccc(F)cc21
InChIInChI=1S/C25H25ClF4N2O2/c1-24(2)19-12-16(27)6-10-21(19)32(23(24)34)13-14-3-7-17(8-4-14)31-22(33)18-11-15(25(28,29)30)5-9-20(18)26/h5-6,9-12,14,17H,3-4,7-8,13H2,1-2H3,(H,31,33)
InChIKeyJLBDCGICXXHDOX-UHFFFAOYSA-N
XLogP6.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.93
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 53341118) is 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is CC1(C)C(=O)N(CC2CCC(NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2ccc(F)cc21.
What is the InChIKey of 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is JLBDCGICXXHDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF4N2O2/c1-24(2)19-12-16(27)6-10-21(19)32(23(24)34)13-14-3-7-17(8-4-14)31-22(33)18-11-15(25(28,29)30)5-9-20(18)26/h5-6,9-12,14,17H,3-4,7-8,13H2,1-2H3,(H,31,33).
What are the key properties of 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 496.93 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(5-fluoro-3,3-dimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 53341118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).