N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide

C30H21F4N3O — CID 71462031

IUPACN-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc3cccnc3n2)cc1)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C30H21F4N3O/c31-26-13-11-24(17-25(26)30(32,33)34)21-7-5-20(6-8-21)18-36-28(38)16-19-3-9-22(10-4-19)27-14-12-23-2-1-15-35-29(23)37-27/h1-15,17H,16,18H2,(H,36,38)
InChIKeyHHRYPESKSYSREM-UHFFFAOYSA-N
MW515.51 g/mol
LogP6.98
Rot. Bonds6

About N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide

N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide (PubChem CID 71462031) has the molecular formula C30H21F4N3O and a molecular weight of 515.51 g/mol. Its IUPAC name is N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
PubChem CID71462031
Molecular FormulaC30H21F4N3O
Molecular Weight515.51 g/mol
Exact Mass515.16
IUPAC NameN-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc3cccnc3n2)cc1)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C30H21F4N3O/c31-26-13-11-24(17-25(26)30(32,33)34)21-7-5-20(6-8-21)18-36-28(38)16-19-3-9-22(10-4-19)27-14-12-23-2-1-15-35-29(23)37-27/h1-15,17H,16,18H2,(H,36,38)
InChIKeyHHRYPESKSYSREM-UHFFFAOYSA-N
XLogP6.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.51
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The IUPAC name of N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide (CID 71462031) is N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide is O=C(Cc1ccc(-c2ccc3cccnc3n2)cc1)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The InChIKey is HHRYPESKSYSREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F4N3O/c31-26-13-11-24(17-25(26)30(32,33)34)21-7-5-20(6-8-21)18-36-28(38)16-19-3-9-22(10-4-19)27-14-12-23-2-1-15-35-29(23)37-27/h1-15,17H,16,18H2,(H,36,38).
What are the key properties of N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide has a molecular weight of 515.51 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 71462031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).