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

C29H21ClFN3O — CID 71456627

IUPACN-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc3cccnc3n2)cc1)NCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C29H21ClFN3O/c30-25-17-24(11-13-26(25)31)21-7-5-20(6-8-21)18-33-28(35)16-19-3-9-22(10-4-19)27-14-12-23-2-1-15-32-29(23)34-27/h1-15,17H,16,18H2,(H,33,35)
InChIKeyVFGFIAYLHQYTIU-UHFFFAOYSA-N
MW481.96 g/mol
LogP6.62
Rot. Bonds6

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

N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide (PubChem CID 71456627) has the molecular formula C29H21ClFN3O and a molecular weight of 481.96 g/mol. Its IUPAC name is N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
PubChem CID71456627
Molecular FormulaC29H21ClFN3O
Molecular Weight481.96 g/mol
Exact Mass481.14
IUPAC NameN-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccc3cccnc3n2)cc1)NCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C29H21ClFN3O/c30-25-17-24(11-13-26(25)31)21-7-5-20(6-8-21)18-33-28(35)16-19-3-9-22(10-4-19)27-14-12-23-2-1-15-32-29(23)34-27/h1-15,17H,16,18H2,(H,33,35)
InChIKeyVFGFIAYLHQYTIU-UHFFFAOYSA-N
XLogP6.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.96
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The IUPAC name of N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide (CID 71456627) is N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The canonical SMILES for N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide is O=C(Cc1ccc(-c2ccc3cccnc3n2)cc1)NCc1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
The InChIKey is VFGFIAYLHQYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21ClFN3O/c30-25-17-24(11-13-26(25)31)21-7-5-20(6-8-21)18-33-28(35)16-19-3-9-22(10-4-19)27-14-12-23-2-1-15-32-29(23)34-27/h1-15,17H,16,18H2,(H,33,35).
What are the key properties of N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide?
N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide has a molecular weight of 481.96 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 71456627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).