N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide

C25H14Cl2F10N2O2 — CID 25255160

IUPACN-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NCc1ccc(C2=NOC(c3cc(Cl)c(C(F)F)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C25H14Cl2F10N2O2/c26-16-7-12(8-17(27)19(16)20(28)29)22(24(32,33)34)9-18(39-41-22)15-6-5-11(13-3-1-2-4-14(13)15)10-38-21(40)23(30,31)25(35,36)37/h1-8,20H,9-10H2,(H,38,40)
InChIKeyATGRDCQIOBXGDV-UHFFFAOYSA-N
MW635.29 g/mol
LogP8.48
Rot. Bonds6

About N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide

N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 25255160) has the molecular formula C25H14Cl2F10N2O2 and a molecular weight of 635.29 g/mol. Its IUPAC name is N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID25255160
Molecular FormulaC25H14Cl2F10N2O2
Molecular Weight635.29 g/mol
Exact Mass634.03
IUPAC NameN-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NCc1ccc(C2=NOC(c3cc(Cl)c(C(F)F)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12)C(F)(F)C(F)(F)F
InChIInChI=1S/C25H14Cl2F10N2O2/c26-16-7-12(8-17(27)19(16)20(28)29)22(24(32,33)34)9-18(39-41-22)15-6-5-11(13-3-1-2-4-14(13)15)10-38-21(40)23(30,31)25(35,36)37/h1-8,20H,9-10H2,(H,38,40)
InChIKeyATGRDCQIOBXGDV-UHFFFAOYSA-N
XLogP8.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.29
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide (CID 25255160) is N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide is O=C(NCc1ccc(C2=NOC(c3cc(Cl)c(C(F)F)c(Cl)c3)(C(F)(F)F)C2)c2ccccc12)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is ATGRDCQIOBXGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl2F10N2O2/c26-16-7-12(8-17(27)19(16)20(28)29)22(24(32,33)34)9-18(39-41-22)15-6-5-11(13-3-1-2-4-14(13)15)10-38-21(40)23(30,31)25(35,36)37/h1-8,20H,9-10H2,(H,38,40).
What are the key properties of N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide?
N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 635.29 g/mol, XLogP of 8.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 25255160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).