N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide

C23H27FN2O2 — CID 52534682

IUPACN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2F)C[C@H](C)O1
InChIInChI=1S/C23H27FN2O2/c1-16-14-26(15-17(2)28-16)21-10-9-19(13-20(21)24)25-22(27)23(11-6-12-23)18-7-4-3-5-8-18/h3-5,7-10,13,16-17H,6,11-12,14-15H2,1-2H3,(H,25,27)/t16-,17-/m0/s1
InChIKeyVSLVCIGXAPNLJQ-IRXDYDNUSA-N
MW382.48 g/mol
LogP4.50
Rot. Bonds4

About N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 52534682) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID52534682
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide
SMILESC[C@H]1CN(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2F)C[C@H](C)O1
InChIInChI=1S/C23H27FN2O2/c1-16-14-26(15-17(2)28-16)21-10-9-19(13-20(21)24)25-22(27)23(11-6-12-23)18-7-4-3-5-8-18/h3-5,7-10,13,16-17H,6,11-12,14-15H2,1-2H3,(H,25,27)/t16-,17-/m0/s1
InChIKeyVSLVCIGXAPNLJQ-IRXDYDNUSA-N
XLogP4.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide (CID 52534682) is N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide is C[C@H]1CN(c2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2F)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is VSLVCIGXAPNLJQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-16-14-26(15-17(2)28-16)21-10-9-19(13-20(21)24)25-22(27)23(11-6-12-23)18-7-4-3-5-8-18/h3-5,7-10,13,16-17H,6,11-12,14-15H2,1-2H3,(H,25,27)/t16-,17-/m0/s1.
What are the key properties of N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide?
N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 52534682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).