ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate

C14H11ClFN3O3 — CID 23633120

IUPACethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nccnc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O3/c1-2-22-14(21)12-11(17-5-6-18-12)13(20)19-8-3-4-10(16)9(15)7-8/h3-7H,2H2,1H3,(H,19,20)
InChIKeyZRCRSAIMWCZMFV-UHFFFAOYSA-N
MW323.71 g/mol
LogP2.70
Rot. Bonds4

About ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate

ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate (PubChem CID 23633120) has the molecular formula C14H11ClFN3O3 and a molecular weight of 323.71 g/mol. Its IUPAC name is ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
PubChem CID23633120
Molecular FormulaC14H11ClFN3O3
Molecular Weight323.71 g/mol
Exact Mass323.05
IUPAC Nameethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nccnc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O3/c1-2-22-14(21)12-11(17-5-6-18-12)13(20)19-8-3-4-10(16)9(15)7-8/h3-7H,2H2,1H3,(H,19,20)
InChIKeyZRCRSAIMWCZMFV-UHFFFAOYSA-N
XLogP2.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866826
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
CID 123163762
N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 58941929
ethyl (E)-3-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,5-oxadiazol-3-yl]prop-2-enoate
CID 58941780
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474858
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-(3-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521373
ethyl N-(3-chloro-4-fluoroanilino)carbamate
CID 12787058

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate?
The IUPAC name of ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate (CID 23633120) is ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate is CCOC(=O)c1nccnc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate?
The InChIKey is ZRCRSAIMWCZMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3/c1-2-22-14(21)12-11(17-5-6-18-12)13(20)19-8-3-4-10(16)9(15)7-8/h3-7H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate?
ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate has a molecular weight of 323.71 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 23633120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).