(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide

C25H28FN3O2 — CID 54043462

IUPAC(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
SMILESCNC(=O)[C@@H](Cc1ccccc1F)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC
InChIInChI=1S/C25H28FN3O2/c1-27-22(15-17-12-13-18-8-4-5-9-19(18)14-17)25(31)29(3)23(24(30)28-2)16-20-10-6-7-11-21(20)26/h4-14,22-23,27H,15-16H2,1-3H3,(H,28,30)/t22-,23-/m1/s1
InChIKeyLNYLJZXCIXPGOI-DHIUTWEWSA-N
MW421.52 g/mol
LogP2.93
Rot. Bonds8

About (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide

(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide (PubChem CID 54043462) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
PubChem CID54043462
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
SMILESCNC(=O)[C@@H](Cc1ccccc1F)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC
InChIInChI=1S/C25H28FN3O2/c1-27-22(15-17-12-13-18-8-4-5-9-19(18)14-17)25(31)29(3)23(24(30)28-2)16-20-10-6-7-11-21(20)26/h4-14,22-23,27H,15-16H2,1-3H3,(H,28,30)/t22-,23-/m1/s1
InChIKeyLNYLJZXCIXPGOI-DHIUTWEWSA-N
XLogP2.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide?
The IUPAC name of (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide (CID 54043462) is (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide is CNC(=O)[C@@H](Cc1ccccc1F)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC.
What is the InChIKey of (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide?
The InChIKey is LNYLJZXCIXPGOI-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-27-22(15-17-12-13-18-8-4-5-9-19(18)14-17)25(31)29(3)23(24(30)28-2)16-20-10-6-7-11-21(20)26/h4-14,22-23,27H,15-16H2,1-3H3,(H,28,30)/t22-,23-/m1/s1.
What are the key properties of (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide?
(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide has a molecular weight of 421.52 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 54043462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).