ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate

C21H19BrN2O4 — CID 132849314

IUPACethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(c2ccccc2Br)=CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C21H19BrN2O4/c1-2-28-21(27)18-12-15(16-10-6-7-11-17(16)22)13-19(25)24(18)23-20(26)14-8-4-3-5-9-14/h3-11,13,18H,2,12H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyPPXCMPFJAAVPDM-GOSISDBHSA-N
MW443.30 g/mol
LogP3.34
Rot. Bonds5

About ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate

ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate (PubChem CID 132849314) has the molecular formula C21H19BrN2O4 and a molecular weight of 443.30 g/mol. Its IUPAC name is ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate
PubChem CID132849314
Molecular FormulaC21H19BrN2O4
Molecular Weight443.30 g/mol
Exact Mass442.05
IUPAC Nameethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCCOC(=O)[C@H]1CC(c2ccccc2Br)=CC(=O)N1NC(=O)c1ccccc1
InChIInChI=1S/C21H19BrN2O4/c1-2-28-21(27)18-12-15(16-10-6-7-11-17(16)22)13-19(25)24(18)23-20(26)14-8-4-3-5-9-14/h3-11,13,18H,2,12H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyPPXCMPFJAAVPDM-GOSISDBHSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate (CID 132849314) is ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate is CCOC(=O)[C@H]1CC(c2ccccc2Br)=CC(=O)N1NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate?
The InChIKey is PPXCMPFJAAVPDM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19BrN2O4/c1-2-28-21(27)18-12-15(16-10-6-7-11-17(16)22)13-19(25)24(18)23-20(26)14-8-4-3-5-9-14/h3-11,13,18H,2,12H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate?
ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate has a molecular weight of 443.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-benzamido-4-(2-bromophenyl)-6-oxo-2,3-dihydropyridine-2-carboxylate is sourced from PubChem (CID 132849314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).