3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide

C19H16BrN3O4 — CID 75417451

IUPAC3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccccc3c2Br)ccc1N1CCOC1=O
InChIInChI=1S/C19H16BrN3O4/c1-26-15-10-11(6-7-14(15)23-8-9-27-19(23)25)21-18(24)17-16(20)12-4-2-3-5-13(12)22-17/h2-7,10,22H,8-9H2,1H3,(H,21,24)
InChIKeyCUMFVBBDOVDXRJ-UHFFFAOYSA-N
MW430.26 g/mol
LogP4.15
Rot. Bonds4

About 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide

3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 75417451) has the molecular formula C19H16BrN3O4 and a molecular weight of 430.26 g/mol. Its IUPAC name is 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID75417451
Molecular FormulaC19H16BrN3O4
Molecular Weight430.26 g/mol
Exact Mass429.03
IUPAC Name3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide
SMILESCOc1cc(NC(=O)c2[nH]c3ccccc3c2Br)ccc1N1CCOC1=O
InChIInChI=1S/C19H16BrN3O4/c1-26-15-10-11(6-7-14(15)23-8-9-27-19(23)25)21-18(24)17-16(20)12-4-2-3-5-13(12)22-17/h2-7,10,22H,8-9H2,1H3,(H,21,24)
InChIKeyCUMFVBBDOVDXRJ-UHFFFAOYSA-N
XLogP4.15
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.26
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
CID 47037294
3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 60541866
3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460277
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704
3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
CID 55965072
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
3-bromo-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 55914989
ethyl (E)-3-[4-[(3-bromo-1H-indole-2-carbonyl)amino]phenyl]prop-2-enoate
CID 94136409
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]furan-2-carboxamide
CID 7687540

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide (CID 75417451) is 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide is COc1cc(NC(=O)c2[nH]c3ccccc3c2Br)ccc1N1CCOC1=O.
What is the InChIKey of 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is CUMFVBBDOVDXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4/c1-26-15-10-11(6-7-14(15)23-8-9-27-19(23)25)21-18(24)17-16(20)12-4-2-3-5-13(12)22-17/h2-7,10,22H,8-9H2,1H3,(H,21,24).
What are the key properties of 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide?
3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 430.26 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 75417451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).