N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H18ClF3N2O2 — CID 46533951

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C22H18ClF3N2O2/c23-15-3-1-4-16(24)14(15)12-28(13-7-8-13)21(29)10-9-20-27-11-19(30-20)22-17(25)5-2-6-18(22)26/h1-6,11,13H,7-10,12H2
InChIKeyWWFCEPGIIZFICR-UHFFFAOYSA-N
MW434.85 g/mol
LogP5.54
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 46533951) has the molecular formula C22H18ClF3N2O2 and a molecular weight of 434.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID46533951
Molecular FormulaC22H18ClF3N2O2
Molecular Weight434.85 g/mol
Exact Mass434.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C22H18ClF3N2O2/c23-15-3-1-4-16(24)14(15)12-28(13-7-8-13)21(29)10-9-20-27-11-19(30-20)22-17(25)5-2-6-18(22)26/h1-6,11,13H,7-10,12H2
InChIKeyWWFCEPGIIZFICR-UHFFFAOYSA-N
XLogP5.54
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.85
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 46533951) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is WWFCEPGIIZFICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O2/c23-15-3-1-4-16(24)14(15)12-28(13-7-8-13)21(29)10-9-20-27-11-19(30-20)22-17(25)5-2-6-18(22)26/h1-6,11,13H,7-10,12H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 434.85 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 46533951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).