N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide

C25H25FN2O3 — CID 118727125

IUPACN-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCCN2CCCC2)c(F)c1)c1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C25H25FN2O3/c26-23-17-21(9-10-24(23)31-14-13-28-11-1-2-12-28)27-25(30)20-7-3-5-18(15-20)19-6-4-8-22(29)16-19/h3-10,15-17,29H,1-2,11-14H2,(H,27,30)
InChIKeyVBEINGUKLZGYFO-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.93
Rot. Bonds7

About N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide

N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide (PubChem CID 118727125) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide
PubChem CID118727125
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCCN2CCCC2)c(F)c1)c1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C25H25FN2O3/c26-23-17-21(9-10-24(23)31-14-13-28-11-1-2-12-28)27-25(30)20-7-3-5-18(15-20)19-6-4-8-22(29)16-19/h3-10,15-17,29H,1-2,11-14H2,(H,27,30)
InChIKeyVBEINGUKLZGYFO-UHFFFAOYSA-N
XLogP4.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide?
The IUPAC name of N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide (CID 118727125) is N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide?
The canonical SMILES for N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide is O=C(Nc1ccc(OCCN2CCCC2)c(F)c1)c1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide?
The InChIKey is VBEINGUKLZGYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c26-23-17-21(9-10-24(23)31-14-13-28-11-1-2-12-28)27-25(30)20-7-3-5-18(15-20)19-6-4-8-22(29)16-19/h3-10,15-17,29H,1-2,11-14H2,(H,27,30).
What are the key properties of N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide?
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide has a molecular weight of 420.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 118727125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).