N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide

C17H23FN2O2 — CID 3498135

IUPACN'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide
SMILESO=C(CCC(=O)NC1CCCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2/c18-14-8-6-13(7-9-14)12-19-16(21)10-11-17(22)20-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,19,21)(H,20,22)
InChIKeyLVXAFFQEELZLMP-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.67
Rot. Bonds6

About N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide

N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide (PubChem CID 3498135) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide
PubChem CID3498135
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide
SMILESO=C(CCC(=O)NC1CCCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O2/c18-14-8-6-13(7-9-14)12-19-16(21)10-11-17(22)20-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,19,21)(H,20,22)
InChIKeyLVXAFFQEELZLMP-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide?
The IUPAC name of N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide (CID 3498135) is N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide.
What is the SMILES notation for N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide?
The canonical SMILES for N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide is O=C(CCC(=O)NC1CCCCC1)NCc1ccc(F)cc1.
What is the InChIKey of N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide?
The InChIKey is LVXAFFQEELZLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-8-6-13(7-9-14)12-19-16(21)10-11-17(22)20-15-4-2-1-3-5-15/h6-9,15H,1-5,10-12H2,(H,19,21)(H,20,22).
What are the key properties of N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide?
N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide has a molecular weight of 306.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(4-fluorophenyl)methyl]butanediamide is sourced from PubChem (CID 3498135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).