N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide

C26H33FN2O4 — CID 10161453

IUPACN-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide
SMILESCOC1(c2cc(F)cc(OCc3ccc(N(C)C(=O)N4CCCC4C)cc3)c2)CCOCC1
InChIInChI=1S/C26H33FN2O4/c1-19-5-4-12-29(19)25(30)28(2)23-8-6-20(7-9-23)18-33-24-16-21(15-22(27)17-24)26(31-3)10-13-32-14-11-26/h6-9,15-17,19H,4-5,10-14,18H2,1-3H3
InChIKeyYHIHMZKEWNPQIP-UHFFFAOYSA-N
MW456.56 g/mol
LogP5.10
Rot. Bonds6

About N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide

N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide (PubChem CID 10161453) has the molecular formula C26H33FN2O4 and a molecular weight of 456.56 g/mol. Its IUPAC name is N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide
PubChem CID10161453
Molecular FormulaC26H33FN2O4
Molecular Weight456.56 g/mol
Exact Mass456.24
IUPAC NameN-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide
SMILESCOC1(c2cc(F)cc(OCc3ccc(N(C)C(=O)N4CCCC4C)cc3)c2)CCOCC1
InChIInChI=1S/C26H33FN2O4/c1-19-5-4-12-29(19)25(30)28(2)23-8-6-20(7-9-23)18-33-24-16-21(15-22(27)17-24)26(31-3)10-13-32-14-11-26/h6-9,15-17,19H,4-5,10-14,18H2,1-3H3
InChIKeyYHIHMZKEWNPQIP-UHFFFAOYSA-N
XLogP5.10
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.56
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-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-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide (CID 10161453) is N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide is COC1(c2cc(F)cc(OCc3ccc(N(C)C(=O)N4CCCC4C)cc3)c2)CCOCC1.
What is the InChIKey of N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide?
The InChIKey is YHIHMZKEWNPQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O4/c1-19-5-4-12-29(19)25(30)28(2)23-8-6-20(7-9-23)18-33-24-16-21(15-22(27)17-24)26(31-3)10-13-32-14-11-26/h6-9,15-17,19H,4-5,10-14,18H2,1-3H3.
What are the key properties of N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide?
N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide has a molecular weight of 456.56 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 10161453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).