N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide

C28H25F6N3O4 — CID 22405599

IUPACN-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N(Cc2ccccc2)C(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C28H25F6N3O4/c1-17(2)23(24(39)27(29,30)31)35-22(38)16-36-20(19-11-7-4-8-12-19)13-14-21(25(36)40)37(26(41)28(32,33)34)15-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,35,38)
InChIKeyLOWWRNZZJDHGND-UHFFFAOYSA-N
MW581.51 g/mol
LogP4.88
Rot. Bonds9

About N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide

N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide (PubChem CID 22405599) has the molecular formula C28H25F6N3O4 and a molecular weight of 581.51 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
PubChem CID22405599
Molecular FormulaC28H25F6N3O4
Molecular Weight581.51 g/mol
Exact Mass581.17
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N(Cc2ccccc2)C(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C28H25F6N3O4/c1-17(2)23(24(39)27(29,30)31)35-22(38)16-36-20(19-11-7-4-8-12-19)13-14-21(25(36)40)37(26(41)28(32,33)34)15-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,35,38)
InChIKeyLOWWRNZZJDHGND-UHFFFAOYSA-N
XLogP4.88
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-(N-acetyl-4-aminoanilino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide;hydrochloride
CID 67747658
2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]acetamide
CID 5289460
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
CID 10414749
4-[[2-(3-acetamido-2-oxo-6-phenyl-1-pyridinyl)acetyl]amino]-2,2-difluoro-5-methyl-3-oxo-N-(2-phenylethyl)hexanamide
CID 19695840
2-(4-nitrophenyl)-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide
CID 22405561
2-[5-[bis(methylsulfamoyl)amino]-6-oxo-2-phenylpyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 67883796
2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 22405460
(2,5-dioxopyrrolidin-1-yl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 22405483
N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide
CID 54263297
2-(8-methoxy-1-oxo-3-phenyl-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 10481065
1H-imidazol-5-ylmethyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate;2,2,2-trifluoroacetic acid
CID 86749524
2-[5-(carbamoylamino)-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 19787919

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide (CID 22405599) is N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(N(Cc2ccccc2)C(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?
The InChIKey is LOWWRNZZJDHGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F6N3O4/c1-17(2)23(24(39)27(29,30)31)35-22(38)16-36-20(19-11-7-4-8-12-19)13-14-21(25(36)40)37(26(41)28(32,33)34)15-18-9-5-3-6-10-18/h3-14,17,23H,15-16H2,1-2H3,(H,35,38).
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide?
N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide has a molecular weight of 581.51 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]acetamide is sourced from PubChem (CID 22405599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).