methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate

C24H22Cl2N2O4 — CID 67027356

IUPACmethyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate
SMILESCCc1cccc(NC(=O)c2c(Cl)cc(Cl)c(=O)n2CCc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C24H22Cl2N2O4/c1-3-15-5-4-6-18(13-15)27-22(29)21-19(25)14-20(26)23(30)28(21)12-11-16-7-9-17(10-8-16)24(31)32-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,29)
InChIKeyVOSRZZPMJBGRJW-UHFFFAOYSA-N
MW473.36 g/mol
LogP5.00
Rot. Bonds7

About methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate

methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate (PubChem CID 67027356) has the molecular formula C24H22Cl2N2O4 and a molecular weight of 473.36 g/mol. Its IUPAC name is methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate
PubChem CID67027356
Molecular FormulaC24H22Cl2N2O4
Molecular Weight473.36 g/mol
Exact Mass472.10
IUPAC Namemethyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate
SMILESCCc1cccc(NC(=O)c2c(Cl)cc(Cl)c(=O)n2CCc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C24H22Cl2N2O4/c1-3-15-5-4-6-18(13-15)27-22(29)21-19(25)14-20(26)23(30)28(21)12-11-16-7-9-17(10-8-16)24(31)32-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,29)
InChIKeyVOSRZZPMJBGRJW-UHFFFAOYSA-N
XLogP5.00
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate with MolForge

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Related Compounds

3,5-dichloro-1-[2-(4-methoxycarbonylphenyl)ethyl]-6-oxopyridine-2-carboxylic acid
CID 58216255
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
methyl 4-[2-[5-bromo-3-chloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 59405885
4-[2-[3,5-dichloro-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzohydrazide
CID 59405877
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
methyl 4-[2-[3,5-dichloro-4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 59405994
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
methyl 4-[3-[2-(acetyloxymethyl)-3,5-dichloro-6-oxo-1-pyridinyl]propyl]benzoate
CID 59405981
tert-butyl 4-[2-[3,5-dichloro-2-[3-(3-methoxyphenyl)propyl]-6-oxo-1-pyridinyl]ethyl]benzoate
CID 68515581
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
methyl 4-[(E)-3-(3-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 26736487
methyl 3-[(4-chloro-1-methyl-3-propylpyrazole-5-carbonyl)amino]benzoate
CID 850815

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate (CID 67027356) is methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate is CCc1cccc(NC(=O)c2c(Cl)cc(Cl)c(=O)n2CCc2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate?
The InChIKey is VOSRZZPMJBGRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4/c1-3-15-5-4-6-18(13-15)27-22(29)21-19(25)14-20(26)23(30)28(21)12-11-16-7-9-17(10-8-16)24(31)32-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,29).
What are the key properties of methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate?
methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate has a molecular weight of 473.36 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[3,5-dichloro-2-[(3-ethylphenyl)carbamoyl]-6-oxo-1-pyridinyl]ethyl]benzoate is sourced from PubChem (CID 67027356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).