N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide

C30H31F3N2O2 — CID 54670055

IUPACN-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCC(N2CCOCC2)CC1c1ccc(F)cc1
InChIInChI=1S/C30H31F3N2O2/c31-23-7-1-20(2-8-23)28-19-26(35-15-17-37-18-16-35)13-14-27(28)30(36)34-29(21-3-9-24(32)10-4-21)22-5-11-25(33)12-6-22/h1-12,26-29H,13-19H2,(H,34,36)
InChIKeyNISQXSUGWIYZOC-UHFFFAOYSA-N
MW508.58 g/mol
LogP5.59
Rot. Bonds6

About N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide

N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 54670055) has the molecular formula C30H31F3N2O2 and a molecular weight of 508.58 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID54670055
Molecular FormulaC30H31F3N2O2
Molecular Weight508.58 g/mol
Exact Mass508.23
IUPAC NameN-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCC(N2CCOCC2)CC1c1ccc(F)cc1
InChIInChI=1S/C30H31F3N2O2/c31-23-7-1-20(2-8-23)28-19-26(35-15-17-37-18-16-35)13-14-27(28)30(36)34-29(21-3-9-24(32)10-4-21)22-5-11-25(33)12-6-22/h1-12,26-29H,13-19H2,(H,34,36)
InChIKeyNISQXSUGWIYZOC-UHFFFAOYSA-N
XLogP5.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide (CID 54670055) is N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide is O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)C1CCC(N2CCOCC2)CC1c1ccc(F)cc1.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is NISQXSUGWIYZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N2O2/c31-23-7-1-20(2-8-23)28-19-26(35-15-17-37-18-16-35)13-14-27(28)30(36)34-29(21-3-9-24(32)10-4-21)22-5-11-25(33)12-6-22/h1-12,26-29H,13-19H2,(H,34,36).
What are the key properties of N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide?
N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 508.58 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]-2-(4-fluorophenyl)-4-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 54670055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).