2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide

C23H27ClFNO — CID 58276334

IUPAC2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide
SMILESCC1(C)CCC(CCc2ccc(-c3cccc(C(N)=O)c3Cl)cc2F)CC1
InChIInChI=1S/C23H27ClFNO/c1-23(2)12-10-15(11-13-23)6-7-16-8-9-17(14-20(16)25)18-4-3-5-19(21(18)24)22(26)27/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H2,26,27)
InChIKeyUTUFAKHXKDBJPX-UHFFFAOYSA-N
MW387.93 g/mol
LogP6.39
Rot. Bonds5

About 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide

2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide (PubChem CID 58276334) has the molecular formula C23H27ClFNO and a molecular weight of 387.93 g/mol. Its IUPAC name is 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide.

Molecular Properties

Compound Name2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide
PubChem CID58276334
Molecular FormulaC23H27ClFNO
Molecular Weight387.93 g/mol
Exact Mass387.18
IUPAC Name2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide
SMILESCC1(C)CCC(CCc2ccc(-c3cccc(C(N)=O)c3Cl)cc2F)CC1
InChIInChI=1S/C23H27ClFNO/c1-23(2)12-10-15(11-13-23)6-7-16-8-9-17(14-20(16)25)18-4-3-5-19(21(18)24)22(26)27/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H2,26,27)
InChIKeyUTUFAKHXKDBJPX-UHFFFAOYSA-N
XLogP6.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.93
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide?
The IUPAC name of 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide (CID 58276334) is 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide.
What is the SMILES notation for 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide?
The canonical SMILES for 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide is CC1(C)CCC(CCc2ccc(-c3cccc(C(N)=O)c3Cl)cc2F)CC1.
What is the InChIKey of 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide?
The InChIKey is UTUFAKHXKDBJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFNO/c1-23(2)12-10-15(11-13-23)6-7-16-8-9-17(14-20(16)25)18-4-3-5-19(21(18)24)22(26)27/h3-5,8-9,14-15H,6-7,10-13H2,1-2H3,(H2,26,27).
What are the key properties of 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide?
2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide has a molecular weight of 387.93 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-[2-(4,4-dimethylcyclohexyl)ethyl]-3-fluorophenyl]benzamide is sourced from PubChem (CID 58276334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).