N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H24F2N4O3 — CID 144948054

IUPACN-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESN#Cc1ccc(Oc2cc(C(=O)NCCC(N)C(F)F)ccc2CN2CCCC2=O)cc1
InChIInChI=1S/C23H24F2N4O3/c24-22(25)19(27)9-10-28-23(31)16-5-6-17(14-29-11-1-2-21(29)30)20(12-16)32-18-7-3-15(13-26)4-8-18/h3-8,12,19,22H,1-2,9-11,14,27H2,(H,28,31)
InChIKeyVPBIYOZAHZPOKF-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.19
Rot. Bonds9

About N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 144948054) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID144948054
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC NameN-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESN#Cc1ccc(Oc2cc(C(=O)NCCC(N)C(F)F)ccc2CN2CCCC2=O)cc1
InChIInChI=1S/C23H24F2N4O3/c24-22(25)19(27)9-10-28-23(31)16-5-6-17(14-29-11-1-2-21(29)30)20(12-16)32-18-7-3-15(13-26)4-8-18/h3-8,12,19,22H,1-2,9-11,14,27H2,(H,28,31)
InChIKeyVPBIYOZAHZPOKF-UHFFFAOYSA-N
XLogP3.19
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropanimidoyl 4-[5-(2,2-difluoroethylcarbamoyl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzenecarboximidothioate
CID 144948170
ethanimidoyl 4-[5-(2-methylsulfinylethylcarbamoyl)-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzenecarboximidothioate
CID 144948148
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123598029
3-[4-[cyclopropyl(methyl)carbamoyl]phenoxy]-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123212836
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile
CID 24702661
3-[4-(5-hydroxy-2-oxo-1H-imidazol-3-yl)phenoxy]-N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123634899
3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide
CID 118465284
3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 144948040
N-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-3-[(1-oxo-2,3-dihydroisoindol-5-yl)oxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 118465285
2-methylpropanimidoyl 4-[5-[(1-cyclobutylpiperidin-4-yl)carbamoyl]-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzenecarboximidothioate
CID 144948027
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[4-(6-methoxypyridazin-3-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 118465430

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 144948054) is N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is N#Cc1ccc(Oc2cc(C(=O)NCCC(N)C(F)F)ccc2CN2CCCC2=O)cc1.
What is the InChIKey of N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is VPBIYOZAHZPOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c24-22(25)19(27)9-10-28-23(31)16-5-6-17(14-29-11-1-2-21(29)30)20(12-16)32-18-7-3-15(13-26)4-8-18/h3-8,12,19,22H,1-2,9-11,14,27H2,(H,28,31).
What are the key properties of N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 442.47 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4,4-difluorobutyl)-3-(4-cyanophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 144948054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).