N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide

C25H24F2N2O2 — CID 118348853

IUPACN-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCN(Cc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C25H24F2N2O2/c26-23-10-9-18(14-24(23)27)15-28-25(30)20-11-12-29(17-20)16-19-5-4-8-22(13-19)31-21-6-2-1-3-7-21/h1-10,13-14,20H,11-12,15-17H2,(H,28,30)
InChIKeyKOVUHMDVLQZEKE-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.90
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 118348853) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID118348853
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCN(Cc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C25H24F2N2O2/c26-23-10-9-18(14-24(23)27)15-28-25(30)20-11-12-29(17-20)16-19-5-4-8-22(13-19)31-21-6-2-1-3-7-21/h1-10,13-14,20H,11-12,15-17H2,(H,28,30)
InChIKeyKOVUHMDVLQZEKE-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 118348909
1-[(3-phenoxyphenyl)methyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 118390520
N-[[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 131895443
N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 134795997
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-difluorophenyl)methyl]-1-ethylurea
CID 123920650
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
CID 134116002
N-(2-aminoethyl)-1-[[4-(3-fluorophenoxy)phenyl]methyl]piperidine-3-carboxamide
CID 120837363
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
N-[(4-methoxyphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4551423
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide (CID 118348853) is N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)C1CCN(Cc2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is KOVUHMDVLQZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c26-23-10-9-18(14-24(23)27)15-28-25(30)20-11-12-29(17-20)16-19-5-4-8-22(13-19)31-21-6-2-1-3-7-21/h1-10,13-14,20H,11-12,15-17H2,(H,28,30).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 118348853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).