(2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide

C28H29F4N3O — CID 69041306

IUPAC(2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide
SMILESCNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C28H29F4N3O/c1-33-27(36)26(19-8-11-23(29)12-9-19)34-15-14-24(22-10-13-25(35-17-22)28(30,31)32)21-7-6-18-4-2-3-5-20(18)16-21/h6-13,16-17,24,26,34H,2-5,14-15H2,1H3,(H,33,36)/t24-,26+/m0/s1
InChIKeyXMVWUOUGCBFVQE-AZGAKELHSA-N
MW499.55 g/mol
LogP5.72
Rot. Bonds8

About (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide

(2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide (PubChem CID 69041306) has the molecular formula C28H29F4N3O and a molecular weight of 499.55 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide
PubChem CID69041306
Molecular FormulaC28H29F4N3O
Molecular Weight499.55 g/mol
Exact Mass499.22
IUPAC Name(2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide
SMILESCNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C28H29F4N3O/c1-33-27(36)26(19-8-11-23(29)12-9-19)34-15-14-24(22-10-13-25(35-17-22)28(30,31)32)21-7-6-18-4-2-3-5-20(18)16-21/h6-13,16-17,24,26,34H,2-5,14-15H2,1H3,(H,33,36)/t24-,26+/m0/s1
InChIKeyXMVWUOUGCBFVQE-AZGAKELHSA-N
XLogP5.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.55
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide (CID 69041306) is (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide is CNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)CCCC2)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide?
The InChIKey is XMVWUOUGCBFVQE-AZGAKELHSA-N. The full InChI is InChI=1S/C28H29F4N3O/c1-33-27(36)26(19-8-11-23(29)12-9-19)34-15-14-24(22-10-13-25(35-17-22)28(30,31)32)21-7-6-18-4-2-3-5-20(18)16-21/h6-13,16-17,24,26,34H,2-5,14-15H2,1H3,(H,33,36)/t24-,26+/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide?
(2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide has a molecular weight of 499.55 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-methyl-2-[[(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]acetamide is sourced from PubChem (CID 69041306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).