[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate

C18H11Cl2N3O3 — CID 86576933

IUPAC[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1)c1cnccn1
InChIInChI=1S/C18H11Cl2N3O3/c19-11-2-1-3-13(8-11)23-17(24)14-9-12(20)4-5-16(14)26-18(25)15-10-21-6-7-22-15/h1-10H,(H,23,24)
InChIKeyVLOPHDKKPAVHCS-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.25
Rot. Bonds4

About [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate

[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate (PubChem CID 86576933) has the molecular formula C18H11Cl2N3O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate
PubChem CID86576933
Molecular FormulaC18H11Cl2N3O3
Molecular Weight388.21 g/mol
Exact Mass387.02
IUPAC Name[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1)c1cnccn1
InChIInChI=1S/C18H11Cl2N3O3/c19-11-2-1-3-13(8-11)23-17(24)14-9-12(20)4-5-16(14)26-18(25)15-10-21-6-7-22-15/h1-10H,(H,23,24)
InChIKeyVLOPHDKKPAVHCS-UHFFFAOYSA-N
XLogP4.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-bromophenyl)carbamoyl]-5-chlorophenyl] pyrazine-2-carboxylate
CID 86577015
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(3-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443324
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
CID 46231642
(4-chloro-2-methylphenyl) 3-(pyridine-3-carbonylamino)benzoate
CID 39995278
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate
CID 46231703
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
CID 127028067
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
[3,5-dichloro-2-(4-chlorophenyl)phenyl] pyrazine-2-carboxylate
CID 90886052
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate?
The IUPAC name of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate (CID 86576933) is [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate.
What is the SMILES notation for [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate?
The canonical SMILES for [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate is O=C(Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1)c1cnccn1.
What is the InChIKey of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate?
The InChIKey is VLOPHDKKPAVHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O3/c19-11-2-1-3-13(8-11)23-17(24)14-9-12(20)4-5-16(14)26-18(25)15-10-21-6-7-22-15/h1-10H,(H,23,24).
What are the key properties of [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate?
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate has a molecular weight of 388.21 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] pyrazine-2-carboxylate is sourced from PubChem (CID 86576933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).