5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide

C30H25Cl2F3N8O2 — CID 58047788

IUPAC5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Cl)cc(C)c2CC(=O)c2cc(Cn3nnc(C(F)(F)F)n3)nn2-c2ncccc2Cl)cc1
InChIInChI=1S/C30H25Cl2F3N8O2/c1-16-6-8-19(9-7-16)18(3)37-28(45)23-12-20(31)11-17(2)22(23)14-26(44)25-13-21(15-42-40-29(38-41-42)30(33,34)35)39-43(25)27-24(32)5-4-10-36-27/h4-13,18H,14-15H2,1-3H3,(H,37,45)
InChIKeyRKEAEPPFSIVEHR-UHFFFAOYSA-N
MW657.48 g/mol
LogP6.16
Rot. Bonds9

About 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide

5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 58047788) has the molecular formula C30H25Cl2F3N8O2 and a molecular weight of 657.48 g/mol. Its IUPAC name is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID58047788
Molecular FormulaC30H25Cl2F3N8O2
Molecular Weight657.48 g/mol
Exact Mass656.14
IUPAC Name5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(Cl)cc(C)c2CC(=O)c2cc(Cn3nnc(C(F)(F)F)n3)nn2-c2ncccc2Cl)cc1
InChIInChI=1S/C30H25Cl2F3N8O2/c1-16-6-8-19(9-7-16)18(3)37-28(45)23-12-20(31)11-17(2)22(23)14-26(44)25-13-21(15-42-40-29(38-41-42)30(33,34)35)39-43(25)27-24(32)5-4-10-36-27/h4-13,18H,14-15H2,1-3H3,(H,37,45)
InChIKeyRKEAEPPFSIVEHR-UHFFFAOYSA-N
XLogP6.16
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.48
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide with MolForge

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Related Compounds

Tetraniliprole
CID 56602311
N-[4-Chloro-2-methyl-6-[[(1-methylethyl)amino]carbonyl]-phenyl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 11228424
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-chlorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720112
5-[(2-Chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 118505223
5-[[2-chloro-5-pyridin-2-yl-4-(trifluoromethyl)benzoyl]amino]-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 126962607
5-[(2-Chloro-4-cyclopropyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 126962650
2-[(3-chlorophenyl)methyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 146634738
2-chloro-5-(1-methyl-1H-pyrazol-3-yl)-N-(1-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 91933847
2-chloro-5-(1-methyl-1H-pyrazol-3-yl)-N-{3-[(1-methyl-1H-tetrazol-5-yl)methyl]-1-phenyl-1H-pyrazol-5-yl}-4-(trifluoromethyl)benzamide
CID 118392871
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[4-phenyl-2-[[[2-(1,2,4-triazol-1-yl)acetyl]amino]methyl]pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 118411448
2-[(4-chloro-3-fluorophenyl)methyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 155553718
PF-06815345 active metabolite
CID 121268228

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide (CID 58047788) is 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cc(Cl)cc(C)c2CC(=O)c2cc(Cn3nnc(C(F)(F)F)n3)nn2-c2ncccc2Cl)cc1.
What is the InChIKey of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is RKEAEPPFSIVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl2F3N8O2/c1-16-6-8-19(9-7-16)18(3)37-28(45)23-12-20(31)11-17(2)22(23)14-26(44)25-13-21(15-42-40-29(38-41-42)30(33,34)35)39-43(25)27-24(32)5-4-10-36-27/h4-13,18H,14-15H2,1-3H3,(H,37,45).
What are the key properties of 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide?
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 657.48 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 58047788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).