2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

C26H19Cl2FN6O2 — CID 134215610

IUPAC2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ncn(-c2cc(Cl)c(C(=O)NCC(c3cccc(F)c3)c3nc4ccccc4[nH]c3=O)c(Cl)c2)n1
InChIInChI=1S/C26H19Cl2FN6O2/c1-14-31-13-35(34-14)17-10-19(27)23(20(28)11-17)25(36)30-12-18(15-5-4-6-16(29)9-15)24-26(37)33-22-8-3-2-7-21(22)32-24/h2-11,13,18H,12H2,1H3,(H,30,36)(H,33,37)
InChIKeyLDFNAZUJMOZYME-UHFFFAOYSA-N
MW537.38 g/mol
LogP4.82
Rot. Bonds6

About 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide

2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 134215610) has the molecular formula C26H19Cl2FN6O2 and a molecular weight of 537.38 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
PubChem CID134215610
Molecular FormulaC26H19Cl2FN6O2
Molecular Weight537.38 g/mol
Exact Mass536.09
IUPAC Name2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ncn(-c2cc(Cl)c(C(=O)NCC(c3cccc(F)c3)c3nc4ccccc4[nH]c3=O)c(Cl)c2)n1
InChIInChI=1S/C26H19Cl2FN6O2/c1-14-31-13-35(34-14)17-10-19(27)23(20(28)11-17)25(36)30-12-18(15-5-4-6-16(29)9-15)24-26(37)33-22-8-3-2-7-21(22)32-24/h2-11,13,18H,12H2,1H3,(H,30,36)(H,33,37)
InChIKeyLDFNAZUJMOZYME-UHFFFAOYSA-N
XLogP4.82
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.38
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-[(2R)-2-(3-fluorophenyl)-2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 121399281
2,6-dichloro-N-[(2R)-2-(3-fluorophenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 121399253
2,6-dichloro-N-[(2R)-2-(6-chloro-4-methyl-1H-benzimidazol-2-yl)-2-(3-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 122192990
3-[1-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)-2-[[2,6-dichloro-4-(3-methyl-1,2,4-triazol-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 121399172
2,6-dichloro-N-[(2R)-2-(8-fluoro-3,5-dimethyl-4-oxoquinazolin-2-yl)-2-pyridin-3-ylethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 121399094
N-[2-(4-carbamoylphenyl)-2-(6-chloro-5-methoxy-1H-benzimidazol-2-yl)ethyl]-2,6-dichloro-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 134208450
2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
CID 121399173
(4S)-1-[2,6-dichloro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-(3-fluorophenyl)-4-(6-methyl-7H-cyclopenta[b]pyridin-3-yl)butan-1-one
CID 158584351
2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-(3-fluorophenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 121407206
2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-6-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 121399296
2-chloro-N-[(2R)-2-(8-fluoro-5-methyl-4-oxo-3H-quinazolin-2-yl)-2-(3-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)imidazol-1-yl]benzamide
CID 137127672
2-chloro-N-[(2R)-2-(6-chloro-4-methyl-1H-benzimidazol-2-yl)-2-(3-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-triazol-4-yl)benzamide
CID 121399195

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide (CID 134215610) is 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is Cc1ncn(-c2cc(Cl)c(C(=O)NCC(c3cccc(F)c3)c3nc4ccccc4[nH]c3=O)c(Cl)c2)n1.
What is the InChIKey of 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
The InChIKey is LDFNAZUJMOZYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2FN6O2/c1-14-31-13-35(34-14)17-10-19(27)23(20(28)11-17)25(36)30-12-18(15-5-4-6-16(29)9-15)24-26(37)33-22-8-3-2-7-21(22)32-24/h2-11,13,18H,12H2,1H3,(H,30,36)(H,33,37).
What are the key properties of 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide?
2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 537.38 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(3-fluorophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 134215610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).