4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide

C22H27FN2O — CID 67697531

IUPAC4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CNC2CCCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O/c1-25(21-14-12-19(23)13-15-21)22(26)18-10-8-17(9-11-18)16-24-20-6-4-2-3-5-7-20/h8-15,20,24H,2-7,16H2,1H3
InChIKeyCNJJYDZCZBGCHC-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.91
Rot. Bonds5

About 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide

4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide (PubChem CID 67697531) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide
PubChem CID67697531
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CNC2CCCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O/c1-25(21-14-12-19(23)13-15-21)22(26)18-10-8-17(9-11-18)16-24-20-6-4-2-3-5-7-20/h8-15,20,24H,2-7,16H2,1H3
InChIKeyCNJJYDZCZBGCHC-UHFFFAOYSA-N
XLogP4.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide (CID 67697531) is 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(CNC2CCCCCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide?
The InChIKey is CNJJYDZCZBGCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-25(21-14-12-19(23)13-15-21)22(26)18-10-8-17(9-11-18)16-24-20-6-4-2-3-5-7-20/h8-15,20,24H,2-7,16H2,1H3.
What are the key properties of 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide?
4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cycloheptylamino)methyl]-N-(4-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 67697531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).