N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide

C18H23F3N2O4 — CID 167843396

IUPACN-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide
SMILESCC(C(=O)NCC(O)CNC(=O)C(F)(F)C1(O)CCC1)c1ccccc1F
InChIInChI=1S/C18H23F3N2O4/c1-11(13-5-2-3-6-14(13)19)15(25)22-9-12(24)10-23-16(26)18(20,21)17(27)7-4-8-17/h2-3,5-6,11-12,24,27H,4,7-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyWLZYMMORJMOQOF-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.07
Rot. Bonds8

About N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide

N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide (PubChem CID 167843396) has the molecular formula C18H23F3N2O4 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide
PubChem CID167843396
Molecular FormulaC18H23F3N2O4
Molecular Weight388.39 g/mol
Exact Mass388.16
IUPAC NameN-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide
SMILESCC(C(=O)NCC(O)CNC(=O)C(F)(F)C1(O)CCC1)c1ccccc1F
InChIInChI=1S/C18H23F3N2O4/c1-11(13-5-2-3-6-14(13)19)15(25)22-9-12(24)10-23-16(26)18(20,21)17(27)7-4-8-17/h2-3,5-6,11-12,24,27H,4,7-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyWLZYMMORJMOQOF-UHFFFAOYSA-N
XLogP1.07
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
2,2-difluoro-N-[(2S)-2-(2-fluorophenoxy)butyl]-2-(1-hydroxycyclobutyl)acetamide
CID 97240972
2,2-difluoro-N-[2-(2-fluorophenoxy)butyl]-2-(1-hydroxycyclobutyl)acetamide
CID 75387966
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
2-(1-aminocyclobutyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 81379814
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
3-(2-fluorophenyl)butan-2-one
CID 66436572
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide?
The IUPAC name of N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide (CID 167843396) is N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide is CC(C(=O)NCC(O)CNC(=O)C(F)(F)C1(O)CCC1)c1ccccc1F.
What is the InChIKey of N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide?
The InChIKey is WLZYMMORJMOQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4/c1-11(13-5-2-3-6-14(13)19)15(25)22-9-12(24)10-23-16(26)18(20,21)17(27)7-4-8-17/h2-3,5-6,11-12,24,27H,4,7-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide?
N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide has a molecular weight of 388.39 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]-2-hydroxypropyl]-2-(2-fluorophenyl)propanamide is sourced from PubChem (CID 167843396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).