(2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide

C25H21F7N2O2 — CID 87668640

IUPAC(2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N(CCCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C25H21F7N2O2/c26-20-13-12-19(15-21(20)36-25(30,31)32)34(22(23(33)35)17-6-2-1-3-7-17)14-4-5-16-8-10-18(11-9-16)24(27,28)29/h1-3,6-13,15,22H,4-5,14H2,(H2,33,35)/t22-/m1/s1
InChIKeyDHDYUIIFVAPINQ-JOCHJYFZSA-N
MW514.44 g/mol
LogP6.41
Rot. Bonds9

About (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide

(2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide (PubChem CID 87668640) has the molecular formula C25H21F7N2O2 and a molecular weight of 514.44 g/mol. Its IUPAC name is (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
PubChem CID87668640
Molecular FormulaC25H21F7N2O2
Molecular Weight514.44 g/mol
Exact Mass514.15
IUPAC Name(2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N(CCCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C25H21F7N2O2/c26-20-13-12-19(15-21(20)36-25(30,31)32)34(22(23(33)35)17-6-2-1-3-7-17)14-4-5-16-8-10-18(11-9-16)24(27,28)29/h1-3,6-13,15,22H,4-5,14H2,(H2,33,35)/t22-/m1/s1
InChIKeyDHDYUIIFVAPINQ-JOCHJYFZSA-N
XLogP6.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.44
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide (CID 87668640) is (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide is NC(=O)[C@@H](c1ccccc1)N(CCCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide?
The InChIKey is DHDYUIIFVAPINQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H21F7N2O2/c26-20-13-12-19(15-21(20)36-25(30,31)32)34(22(23(33)35)17-6-2-1-3-7-17)14-4-5-16-8-10-18(11-9-16)24(27,28)29/h1-3,6-13,15,22H,4-5,14H2,(H2,33,35)/t22-/m1/s1.
What are the key properties of (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide?
(2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide has a molecular weight of 514.44 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide is sourced from PubChem (CID 87668640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).