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

C25H21ClFN3O — CID 71462028

IUPACN-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C25H21ClFN3O/c26-22-15-20(11-13-23(22)27)18-8-6-17(7-9-18)16-29-24(31)5-1-4-21-12-10-19-3-2-14-28-25(19)30-21/h2-3,6-15H,1,4-5,16H2,(H,29,31)
InChIKeyVDJXCHYCBZSTRL-UHFFFAOYSA-N
MW433.91 g/mol
LogP5.73
Rot. Bonds7

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

N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71462028) has the molecular formula C25H21ClFN3O and a molecular weight of 433.91 g/mol. Its IUPAC name is N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71462028
Molecular FormulaC25H21ClFN3O
Molecular Weight433.91 g/mol
Exact Mass433.14
IUPAC NameN-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C25H21ClFN3O/c26-22-15-20(11-13-23(22)27)18-8-6-17(7-9-18)16-29-24(31)5-1-4-21-12-10-19-3-2-14-28-25(19)30-21/h2-3,6-15H,1,4-5,16H2,(H,29,31)
InChIKeyVDJXCHYCBZSTRL-UHFFFAOYSA-N
XLogP5.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.91
LogP ≤ 55.73
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]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71462028) is N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is VDJXCHYCBZSTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O/c26-22-15-20(11-13-23(22)27)18-8-6-17(7-9-18)16-29-24(31)5-1-4-21-12-10-19-3-2-14-28-25(19)30-21/h2-3,6-15H,1,4-5,16H2,(H,29,31).
What are the key properties of N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[4-(3-chloro-4-fluorophenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 433.91 g/mol, XLogP of 5.73, 7 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]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71462028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).