1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C26H26FN3O3 — CID 86950776

IUPAC1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C26H26FN3O3/c27-21-9-4-10-22(15-21)33-17-18-6-3-8-19(14-18)26(32)29-23-11-2-1-7-20(23)16-30-13-5-12-24(30)25(28)31/h1-4,6-11,14-15,24H,5,12-13,16-17H2,(H2,28,31)(H,29,32)
InChIKeyRLBCSCOLVYHXGA-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.11
Rot. Bonds8

About 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 86950776) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID86950776
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C26H26FN3O3/c27-21-9-4-10-22(15-21)33-17-18-6-3-8-19(14-18)26(32)29-23-11-2-1-7-20(23)16-30-13-5-12-24(30)25(28)31/h1-4,6-11,14-15,24H,5,12-13,16-17H2,(H2,28,31)(H,29,32)
InChIKeyRLBCSCOLVYHXGA-UHFFFAOYSA-N
XLogP4.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676963
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
(2S)-1-[3-[(3-fluorophenoxy)methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119365906
(2S)-1-[[2-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
CID 11234325
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52515061
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 66912833
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86886899
[(3R)-3-aminopiperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone
CID 124593731
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86882670
(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 97236683

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 86950776) is 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1ccccc1NC(=O)c1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RLBCSCOLVYHXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c27-21-9-4-10-22(15-21)33-17-18-6-3-8-19(14-18)26(32)29-23-11-2-1-7-20(23)16-30-13-5-12-24(30)25(28)31/h1-4,6-11,14-15,24H,5,12-13,16-17H2,(H2,28,31)(H,29,32).
What are the key properties of 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86950776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).