N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide

C26H23Cl3F3N5O4 — CID 157363028

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide
SMILESCC(C)(NC(=O)C(CC(=O)Cn1nc(-c2ccc(Cl)cc2)n(/C=C/C(F)(F)F)c1=O)c1cccc(Cl)c1Cl)C(N)=O
InChIInChI=1S/C26H23Cl3F3N5O4/c1-25(2,23(33)40)34-22(39)18(17-4-3-5-19(28)20(17)29)12-16(38)13-37-24(41)36(11-10-26(30,31)32)21(35-37)14-6-8-15(27)9-7-14/h3-11,18H,12-13H2,1-2H3,(H2,33,40)(H,34,39)/b11-10+
InChIKeyBIVYRMJRYSCWMC-ZHACJKMWSA-N
MW632.85 g/mol
LogP4.83
Rot. Bonds10

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide (PubChem CID 157363028) has the molecular formula C26H23Cl3F3N5O4 and a molecular weight of 632.85 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide
PubChem CID157363028
Molecular FormulaC26H23Cl3F3N5O4
Molecular Weight632.85 g/mol
Exact Mass631.08
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide
SMILESCC(C)(NC(=O)C(CC(=O)Cn1nc(-c2ccc(Cl)cc2)n(/C=C/C(F)(F)F)c1=O)c1cccc(Cl)c1Cl)C(N)=O
InChIInChI=1S/C26H23Cl3F3N5O4/c1-25(2,23(33)40)34-22(39)18(17-4-3-5-19(28)20(17)29)12-16(38)13-37-24(41)36(11-10-26(30,31)32)21(35-37)14-6-8-15(27)9-7-14/h3-11,18H,12-13H2,1-2H3,(H2,33,40)(H,34,39)/b11-10+
InChIKeyBIVYRMJRYSCWMC-ZHACJKMWSA-N
XLogP4.83
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.85
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide with MolForge

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Related Compounds

N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-4-oxo-2-[2-(trifluoromethyl)phenyl]pentanamide
CID 161499108
2-[[2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]acetyl]amino]-2-(2,3-dichlorophenyl)acetyl]amino]-2-methylpropanamide
CID 87160646
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(2-chlorophenyl)-5-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]-4-oxopentanamide
CID 147608977
[2-(2-chlorophenyl)-3-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate
CID 66635656
2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoroprop-1-enyl)-1,2,4-triazol-1-yl]acetic acid
CID 66778393
[5-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentyl] carbamate
CID 158829365
(Z)-3-[3-(4-chlorophenyl)-5-oxo-1-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl]-1,2,4-triazol-4-yl]prop-2-enoic acid
CID 58012261
2-[3-(4-chlorophenyl)-4-[(2S)-3,3-difluoro-2-hydroxy-3-iodopropyl]-5-oxo-1,2,4-triazol-1-yl]-N-[1-(2,3-dichlorophenyl)-2-hydroxyethyl]acetamide
CID 59536775
2-(3-amino-2-oxopropyl)-5-(4-chlorophenyl)-4-[(2S)-3,3-difluoro-2-hydroxybutyl]-1,2,4-triazol-3-one
CID 158445086
5-(4-chlorophenyl)-2-[4-(2,3-dichlorophenyl)-2-oxobutyl]-4-(2-hydroxy-2-methylpropyl)-1,2,4-triazol-3-one
CID 159304087
2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]-N-[1-(2,3-dichlorophenyl)-2-nitroethyl]acetamide
CID 46929232
2-[[2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 75244167

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide (CID 157363028) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide is CC(C)(NC(=O)C(CC(=O)Cn1nc(-c2ccc(Cl)cc2)n(/C=C/C(F)(F)F)c1=O)c1cccc(Cl)c1Cl)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide?
The InChIKey is BIVYRMJRYSCWMC-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H23Cl3F3N5O4/c1-25(2,23(33)40)34-22(39)18(17-4-3-5-19(28)20(17)29)12-16(38)13-37-24(41)36(11-10-26(30,31)32)21(35-37)14-6-8-15(27)9-7-14/h3-11,18H,12-13H2,1-2H3,(H2,33,40)(H,34,39)/b11-10+.
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide has a molecular weight of 632.85 g/mol, XLogP of 4.83, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-[3-(4-chlorophenyl)-5-oxo-4-[(E)-3,3,3-trifluoroprop-1-enyl]-1,2,4-triazol-1-yl]-2-(2,3-dichlorophenyl)-4-oxopentanamide is sourced from PubChem (CID 157363028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).