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

C30H22F4N4O — CID 71456629

IUPAC2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
SMILESNC(C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C30H22F4N4O/c31-25-13-11-23(16-24(25)30(32,33)34)19-5-3-18(4-6-19)17-37-29(39)27(35)21-9-7-20(8-10-21)26-14-12-22-2-1-15-36-28(22)38-26/h1-16,27H,17,35H2,(H,37,39)
InChIKeyUEYIAZBJXOAPRD-UHFFFAOYSA-N
MW530.53 g/mol
LogP6.44
Rot. Bonds6

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

2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide (PubChem CID 71456629) has the molecular formula C30H22F4N4O and a molecular weight of 530.53 g/mol. Its IUPAC name is 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
PubChem CID71456629
Molecular FormulaC30H22F4N4O
Molecular Weight530.53 g/mol
Exact Mass530.17
IUPAC Name2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
SMILESNC(C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1
InChIInChI=1S/C30H22F4N4O/c31-25-13-11-23(16-24(25)30(32,33)34)19-5-3-18(4-6-19)17-37-29(39)27(35)21-9-7-20(8-10-21)26-14-12-22-2-1-15-36-28(22)38-26/h1-16,27H,17,35H2,(H,37,39)
InChIKeyUEYIAZBJXOAPRD-UHFFFAOYSA-N
XLogP6.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.53
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide (CID 71456629) is 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide is NC(C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1.
What is the InChIKey of 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The InChIKey is UEYIAZBJXOAPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F4N4O/c31-25-13-11-23(16-24(25)30(32,33)34)19-5-3-18(4-6-19)17-37-29(39)27(35)21-9-7-20(8-10-21)26-14-12-22-2-1-15-36-28(22)38-26/h1-16,27H,17,35H2,(H,37,39).
What are the key properties of 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide has a molecular weight of 530.53 g/mol, XLogP of 6.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 71456629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).