propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate

C17H16Cl2N2O3 — CID 90303117

IUPACpropan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
SMILESCc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)OC(C)C)n1
InChIInChI=1S/C17H16Cl2N2O3/c1-9(2)24-17(23)12-8-14(19)13(18)7-11(12)16(22)21-15-6-4-5-10(3)20-15/h4-9H,1-3H3,(H,20,21,22)
InChIKeyHOXQXGNRFDSBJW-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.51
Rot. Bonds4

About propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate

propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate (PubChem CID 90303117) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
PubChem CID90303117
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Namepropan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
SMILESCc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)OC(C)C)n1
InChIInChI=1S/C17H16Cl2N2O3/c1-9(2)24-17(23)12-8-14(19)13(18)7-11(12)16(22)21-15-6-4-5-10(3)20-15/h4-9H,1-3H3,(H,20,21,22)
InChIKeyHOXQXGNRFDSBJW-UHFFFAOYSA-N
XLogP4.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 90303364
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
CID 1347930
4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 51286285
tert-butyl 2-[(6-methyl-2-pyridinyl)carbamoyl]-5-propan-2-ylbenzoate
CID 90303373
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 72947279
methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799748
2-amino-3,5-dimethoxy-N-(6-methyl-2-pyridinyl)benzamide
CID 115950448
2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
4-chloro-5-ethyl-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 130283556
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 115683291

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate?
The IUPAC name of propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate (CID 90303117) is propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate.
What is the SMILES notation for propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate?
The canonical SMILES for propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate is Cc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate?
The InChIKey is HOXQXGNRFDSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-9(2)24-17(23)12-8-14(19)13(18)7-11(12)16(22)21-15-6-4-5-10(3)20-15/h4-9H,1-3H3,(H,20,21,22).
What are the key properties of propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate?
propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate has a molecular weight of 367.23 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate is sourced from PubChem (CID 90303117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).