N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide

C23H29FN2O — CID 19381473

IUPACN-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide
SMILESCNCc1ccc(C2CCC(N(Cc3ccc(F)cc3)C(C)=O)CC2)cc1
InChIInChI=1S/C23H29FN2O/c1-17(27)26(16-19-5-11-22(24)12-6-19)23-13-9-21(10-14-23)20-7-3-18(4-8-20)15-25-2/h3-8,11-12,21,23,25H,9-10,13-16H2,1-2H3
InChIKeyHRSZFFLDIZISAC-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.62
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide

N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide (PubChem CID 19381473) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide
PubChem CID19381473
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide
SMILESCNCc1ccc(C2CCC(N(Cc3ccc(F)cc3)C(C)=O)CC2)cc1
InChIInChI=1S/C23H29FN2O/c1-17(27)26(16-19-5-11-22(24)12-6-19)23-13-9-21(10-14-23)20-7-3-18(4-8-20)15-25-2/h3-8,11-12,21,23,25H,9-10,13-16H2,1-2H3
InChIKeyHRSZFFLDIZISAC-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide (CID 19381473) is N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide is CNCc1ccc(C2CCC(N(Cc3ccc(F)cc3)C(C)=O)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide?
The InChIKey is HRSZFFLDIZISAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-17(27)26(16-19-5-11-22(24)12-6-19)23-13-9-21(10-14-23)20-7-3-18(4-8-20)15-25-2/h3-8,11-12,21,23,25H,9-10,13-16H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide?
N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[4-[4-(methylaminomethyl)phenyl]cyclohexyl]acetamide is sourced from PubChem (CID 19381473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).