1-(2-bromobenzoyl)indole-3-carboxamide

C16H11BrN2O2 — CID 91690367

IUPAC1-(2-bromobenzoyl)indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2ccccc2Br)c2ccccc12
InChIInChI=1S/C16H11BrN2O2/c17-13-7-3-1-6-11(13)16(21)19-9-12(15(18)20)10-5-2-4-8-14(10)19/h1-9H,(H2,18,20)
InChIKeyPHSRWEOBEUQSRS-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.19
Rot. Bonds2

About 1-(2-bromobenzoyl)indole-3-carboxamide

1-(2-bromobenzoyl)indole-3-carboxamide (PubChem CID 91690367) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is 1-(2-bromobenzoyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromobenzoyl)indole-3-carboxamide
PubChem CID91690367
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC Name1-(2-bromobenzoyl)indole-3-carboxamide
SMILESNC(=O)c1cn(C(=O)c2ccccc2Br)c2ccccc12
InChIInChI=1S/C16H11BrN2O2/c17-13-7-3-1-6-11(13)16(21)19-9-12(15(18)20)10-5-2-4-8-14(10)19/h1-9H,(H2,18,20)
InChIKeyPHSRWEOBEUQSRS-UHFFFAOYSA-N
XLogP3.19
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobenzoyl)indole-3-carboxamide?
The IUPAC name of 1-(2-bromobenzoyl)indole-3-carboxamide (CID 91690367) is 1-(2-bromobenzoyl)indole-3-carboxamide.
What is the SMILES notation for 1-(2-bromobenzoyl)indole-3-carboxamide?
The canonical SMILES for 1-(2-bromobenzoyl)indole-3-carboxamide is NC(=O)c1cn(C(=O)c2ccccc2Br)c2ccccc12.
What is the InChIKey of 1-(2-bromobenzoyl)indole-3-carboxamide?
The InChIKey is PHSRWEOBEUQSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-13-7-3-1-6-11(13)16(21)19-9-12(15(18)20)10-5-2-4-8-14(10)19/h1-9H,(H2,18,20).
What are the key properties of 1-(2-bromobenzoyl)indole-3-carboxamide?
1-(2-bromobenzoyl)indole-3-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobenzoyl)indole-3-carboxamide is sourced from PubChem (CID 91690367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).