N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide

C27H23F3N4O3 — CID 129226977

IUPACN-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc(N2CCC=C(NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C27H23F3N4O3/c1-17(35)31-23-6-3-2-5-22(23)18-8-14-21(15-9-18)34-16-4-7-24(25(34)36)33-26(37)32-20-12-10-19(11-13-20)27(28,29)30/h2-3,5-15H,4,16H2,1H3,(H,31,35)(H2,32,33,37)
InChIKeyFPSYPJSVAIPOTQ-UHFFFAOYSA-N
MW508.50 g/mol
LogP5.77
Rot. Bonds5

About N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide

N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide (PubChem CID 129226977) has the molecular formula C27H23F3N4O3 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide
PubChem CID129226977
Molecular FormulaC27H23F3N4O3
Molecular Weight508.50 g/mol
Exact Mass508.17
IUPAC NameN-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc(N2CCC=C(NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C27H23F3N4O3/c1-17(35)31-23-6-3-2-5-22(23)18-8-14-21(15-9-18)34-16-4-7-24(25(34)36)33-26(37)32-20-12-10-19(11-13-20)27(28,29)30/h2-3,5-15H,4,16H2,1H3,(H,31,35)(H2,32,33,37)
InChIKeyFPSYPJSVAIPOTQ-UHFFFAOYSA-N
XLogP5.77
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide with MolForge

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Related Compounds

1-[(3R)-1-[4-[2-(methanesulfonamido)phenyl]phenyl]pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 155055732
1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea
CID 153341446
1-[(3R)-1-[4-[2-(2-methylpropylsulfonylamino)phenyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226617
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290
1-[(3R)-2-oxo-1-[4-[2-(trifluoromethoxy)phenyl]phenyl]piperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226612
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174
1-[(3R)-1-[4-[2-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226953
N-[4-[4-hydroxy-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]phenyl]acetamide
CID 110581405
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71228197
1-[(3R)-1-[4-[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 146520329

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide?
The IUPAC name of N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide (CID 129226977) is N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc(N2CCC=C(NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide?
The InChIKey is FPSYPJSVAIPOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O3/c1-17(35)31-23-6-3-2-5-22(23)18-8-14-21(15-9-18)34-16-4-7-24(25(34)36)33-26(37)32-20-12-10-19(11-13-20)27(28,29)30/h2-3,5-15H,4,16H2,1H3,(H,31,35)(H2,32,33,37).
What are the key properties of N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide?
N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide has a molecular weight of 508.50 g/mol, XLogP of 5.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-oxo-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]-2,3-dihydropyridin-1-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 129226977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).