2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid

C50H50Cl4F6N18O5 — CID 159939153

IUPAC2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid
SMILESCC(c1cc(C(=O)O)n(-c2ncccc2Cl)n1)n1nnc(C(F)(F)F)n1.Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1N.Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1NC(=O)c1cc(C(C)n2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C25H24Cl2F3N9O2.C13H9ClF3N7O2.C12H17ClN2O/c1-12-9-14(26)10-15(21(40)33-24(3,4)5)19(12)32-22(41)18-11-17(35-38(18)20-16(27)7-6-8-31-20)13(2)39-36-23(34-37-39)25(28,29)30;1-6(24-21-12(19-22-24)13(15,16)17)8-5-9(11(25)26)23(20-8)10-7(14)3-2-4-18-10;1-7-5-8(13)6-9(10(7)14)11(16)15-12(2,3)4/h6-11,13H,1-5H3,(H,32,41)(H,33,40);2-6H,1H3,(H,25,26);5-6H,14H2,1-4H3,(H,15,16)
InChIKeyOAQMHKSBSACYBH-UHFFFAOYSA-N
MW1238.87 g/mol
LogP10.27
Rot. Bonds11

About 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid

2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid (PubChem CID 159939153) has the molecular formula C50H50Cl4F6N18O5 and a molecular weight of 1238.87 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid
PubChem CID159939153
Molecular FormulaC50H50Cl4F6N18O5
Molecular Weight1238.87 g/mol
Exact Mass1236.29
IUPAC Name2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid
SMILESCC(c1cc(C(=O)O)n(-c2ncccc2Cl)n1)n1nnc(C(F)(F)F)n1.Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1N.Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1NC(=O)c1cc(C(C)n2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
InChIInChI=1S/C25H24Cl2F3N9O2.C13H9ClF3N7O2.C12H17ClN2O/c1-12-9-14(26)10-15(21(40)33-24(3,4)5)19(12)32-22(41)18-11-17(35-38(18)20-16(27)7-6-8-31-20)13(2)39-36-23(34-37-39)25(28,29)30;1-6(24-21-12(19-22-24)13(15,16)17)8-5-9(11(25)26)23(20-8)10-7(14)3-2-4-18-10;1-7-5-8(13)6-9(10(7)14)11(16)15-12(2,3)4/h6-11,13H,1-5H3,(H,32,41)(H,33,40);2-6H,1H3,(H,25,26);5-6H,14H2,1-4H3,(H,15,16)
InChIKeyOAQMHKSBSACYBH-UHFFFAOYSA-N
XLogP10.27
TPSA299.24 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001238.87
LogP ≤ 510.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid?
The IUPAC name of 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid (CID 159939153) is 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid is CC(c1cc(C(=O)O)n(-c2ncccc2Cl)n1)n1nnc(C(F)(F)F)n1.Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1N.Cc1cc(Cl)cc(C(=O)NC(C)(C)C)c1NC(=O)c1cc(C(C)n2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.
What is the InChIKey of 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid?
The InChIKey is OAQMHKSBSACYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2F3N9O2.C13H9ClF3N7O2.C12H17ClN2O/c1-12-9-14(26)10-15(21(40)33-24(3,4)5)19(12)32-22(41)18-11-17(35-38(18)20-16(27)7-6-8-31-20)13(2)39-36-23(34-37-39)25(28,29)30;1-6(24-21-12(19-22-24)13(15,16)17)8-5-9(11(25)26)23(20-8)10-7(14)3-2-4-18-10;1-7-5-8(13)6-9(10(7)14)11(16)15-12(2,3)4/h6-11,13H,1-5H3,(H,32,41)(H,33,40);2-6H,1H3,(H,25,26);5-6H,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid?
2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid has a molecular weight of 1238.87 g/mol, XLogP of 10.27, 11 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-5-chloro-3-methylbenzamide;N-[2-(tert-butylcarbamoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[1-[5-(trifluoromethyl)tetrazol-2-yl]ethyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 159939153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).