[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate

C18H18Cl2N2O3 — CID 7969091

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCc1nc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)c(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-10(2)12-4-6-13(7-5-12)18(24)25-9-16(23)22-17-15(20)8-14(19)11(3)21-17/h4-8,10H,9H2,1-3H3,(H,21,22,23)
InChIKeyGVMNYQGUNJYLNH-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.62
Rot. Bonds5

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate (PubChem CID 7969091) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
PubChem CID7969091
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCc1nc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)c(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-10(2)12-4-6-13(7-5-12)18(24)25-9-16(23)22-17-15(20)8-14(19)11(3)21-17/h4-8,10H,9H2,1-3H3,(H,21,22,23)
InChIKeyGVMNYQGUNJYLNH-UHFFFAOYSA-N
XLogP4.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678578
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386703
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2356788
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7789788
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 16522070
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 27212711
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988416
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 16522828
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 3952477
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 3944750
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 16513148
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7694345

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate (CID 7969091) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate is Cc1nc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate?
The InChIKey is GVMNYQGUNJYLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-10(2)12-4-6-13(7-5-12)18(24)25-9-16(23)22-17-15(20)8-14(19)11(3)21-17/h4-8,10H,9H2,1-3H3,(H,21,22,23).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate has a molecular weight of 381.26 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate is sourced from PubChem (CID 7969091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).