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

C32H25F4N3O — CID 71458486

IUPACN-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
SMILESCC(C)(C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C32H25F4N3O/c1-31(2,25-13-9-22(10-14-25)28-16-12-23-4-3-17-37-29(23)39-28)30(40)38-19-20-5-7-21(8-6-20)24-11-15-27(33)26(18-24)32(34,35)36/h3-18H,19H2,1-2H3,(H,38,40)
InChIKeyNAJCBPLQVJYSNF-UHFFFAOYSA-N
MW543.56 g/mol
LogP7.72
Rot. Bonds6

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

N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide (PubChem CID 71458486) has the molecular formula C32H25F4N3O and a molecular weight of 543.56 g/mol. Its IUPAC name is N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
PubChem CID71458486
Molecular FormulaC32H25F4N3O
Molecular Weight543.56 g/mol
Exact Mass543.19
IUPAC NameN-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
SMILESCC(C)(C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C32H25F4N3O/c1-31(2,25-13-9-22(10-14-25)28-16-12-23-4-3-17-37-29(23)39-28)30(40)38-19-20-5-7-21(8-6-20)24-11-15-27(33)26(18-24)32(34,35)36/h3-18H,19H2,1-2H3,(H,38,40)
InChIKeyNAJCBPLQVJYSNF-UHFFFAOYSA-N
XLogP7.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.56
LogP ≤ 57.72
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-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide?
The IUPAC name of N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide (CID 71458486) is N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide?
The canonical SMILES for N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide is CC(C)(C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1.
What is the InChIKey of N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide?
The InChIKey is NAJCBPLQVJYSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F4N3O/c1-31(2,25-13-9-22(10-14-25)28-16-12-23-4-3-17-37-29(23)39-28)30(40)38-19-20-5-7-21(8-6-20)24-11-15-27(33)26(18-24)32(34,35)36/h3-18H,19H2,1-2H3,(H,38,40).
What are the key properties of N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide?
N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide has a molecular weight of 543.56 g/mol, XLogP of 7.72, 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-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 71458486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).