(2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide

C31H24F2N2O2 — CID 175089261

IUPAC(2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C[C@@H](C(=O)Nc1cccc(F)c1)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C31H24F2N2O2/c1-37-30-8-3-2-5-22(30)17-27(31(36)35-25-7-4-6-23(32)18-25)21-11-9-20(10-12-21)26-15-16-34-29-14-13-24(33)19-28(26)29/h2-16,18-19,27H,17H2,1H3,(H,35,36)/t27-/m1/s1
InChIKeyGWLAECGBBKDSKK-HHHXNRCGSA-N
MW494.54 g/mol
LogP7.15
Rot. Bonds7

About (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide

(2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 175089261) has the molecular formula C31H24F2N2O2 and a molecular weight of 494.54 g/mol. Its IUPAC name is (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
PubChem CID175089261
Molecular FormulaC31H24F2N2O2
Molecular Weight494.54 g/mol
Exact Mass494.18
IUPAC Name(2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1C[C@@H](C(=O)Nc1cccc(F)c1)c1ccc(-c2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C31H24F2N2O2/c1-37-30-8-3-2-5-22(30)17-27(31(36)35-25-7-4-6-23(32)18-25)21-11-9-20(10-12-21)26-15-16-34-29-14-13-24(33)19-28(26)29/h2-16,18-19,27H,17H2,1H3,(H,35,36)/t27-/m1/s1
InChIKeyGWLAECGBBKDSKK-HHHXNRCGSA-N
XLogP7.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.54
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide (CID 175089261) is (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1C[C@@H](C(=O)Nc1cccc(F)c1)c1ccc(-c2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is GWLAECGBBKDSKK-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H24F2N2O2/c1-37-30-8-3-2-5-22(30)17-27(31(36)35-25-7-4-6-23(32)18-25)21-11-9-20(10-12-21)26-15-16-34-29-14-13-24(33)19-28(26)29/h2-16,18-19,27H,17H2,1H3,(H,35,36)/t27-/m1/s1.
What are the key properties of (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide?
(2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 494.54 g/mol, XLogP of 7.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)phenyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 175089261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).