1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide

C20H13BrN2O2 — CID 91690268

IUPAC1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2cccc3c(Br)cccc23)c2ccccc12
InChIInChI=1S/C20H13BrN2O2/c21-17-9-4-6-12-13(17)7-3-8-15(12)20(25)23-11-16(19(22)24)14-5-1-2-10-18(14)23/h1-11H,(H2,22,24)
InChIKeyGJIDAJVLYNSCGM-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.34
Rot. Bonds2

About 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide

1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide (PubChem CID 91690268) has the molecular formula C20H13BrN2O2 and a molecular weight of 393.24 g/mol. Its IUPAC name is 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide
PubChem CID91690268
Molecular FormulaC20H13BrN2O2
Molecular Weight393.24 g/mol
Exact Mass392.02
IUPAC Name1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2cccc3c(Br)cccc23)c2ccccc12
InChIInChI=1S/C20H13BrN2O2/c21-17-9-4-6-12-13(17)7-3-8-15(12)20(25)23-11-16(19(22)24)14-5-1-2-10-18(14)23/h1-11H,(H2,22,24)
InChIKeyGJIDAJVLYNSCGM-UHFFFAOYSA-N
XLogP4.34
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide?
The IUPAC name of 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide (CID 91690268) is 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide.
What is the SMILES notation for 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide?
The canonical SMILES for 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide is NC(=O)c1cn(C(=O)c2cccc3c(Br)cccc23)c2ccccc12.
What is the InChIKey of 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide?
The InChIKey is GJIDAJVLYNSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O2/c21-17-9-4-6-12-13(17)7-3-8-15(12)20(25)23-11-16(19(22)24)14-5-1-2-10-18(14)23/h1-11H,(H2,22,24).
What are the key properties of 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide?
1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromonaphthalene-1-carbonyl)indole-3-carboxamide is sourced from PubChem (CID 91690268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).