1-benzoyl-4-bromoindole-3-carbaldehyde

C16H10BrNO2 — CID 155678231

IUPAC1-benzoyl-4-bromoindole-3-carbaldehyde
SMILESO=Cc1cn(C(=O)c2ccccc2)c2cccc(Br)c12
InChIInChI=1S/C16H10BrNO2/c17-13-7-4-8-14-15(13)12(10-19)9-18(14)16(20)11-5-2-1-3-6-11/h1-10H
InChIKeyUYIVUKFTZSTBKM-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.90
Rot. Bonds2

About 1-benzoyl-4-bromoindole-3-carbaldehyde

1-benzoyl-4-bromoindole-3-carbaldehyde (PubChem CID 155678231) has the molecular formula C16H10BrNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 1-benzoyl-4-bromoindole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzoyl-4-bromoindole-3-carbaldehyde
PubChem CID155678231
Molecular FormulaC16H10BrNO2
Molecular Weight328.17 g/mol
Exact Mass326.99
IUPAC Name1-benzoyl-4-bromoindole-3-carbaldehyde
SMILESO=Cc1cn(C(=O)c2ccccc2)c2cccc(Br)c12
InChIInChI=1S/C16H10BrNO2/c17-13-7-4-8-14-15(13)12(10-19)9-18(14)16(20)11-5-2-1-3-6-11/h1-10H
InChIKeyUYIVUKFTZSTBKM-UHFFFAOYSA-N
XLogP3.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-iodo-1-(4-methylbenzoyl)indole-3-carbaldehyde
CID 155678224
1-benzoylindole-4-carbaldehyde
CID 18973532
4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde
CID 155678215
(3-amino-4-methylindol-1-yl)-phenylmethanone
CID 101141428
4-bromo-1-(2-chloroethyl)indole-3-carbaldehyde
CID 57443554
1-benzoyl-5-fluoroindole-3-carbaldehyde
CID 155678237
methyl 1-benzoyl-3-formylindole-5-carboxylate
CID 141446667
1-(3,4-dichlorobenzoyl)indole-3-carbaldehyde
CID 91690489
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482
1,3-dibenzoyl-5-bromopyrimidine-2,4-dione
CID 142771041
benzyl 7-bromo-3-formylindole-1-carboxylate
CID 53419258
1-(2-methylbenzoyl)indole-3-carbaldehyde
CID 82122132

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-bromoindole-3-carbaldehyde?
The IUPAC name of 1-benzoyl-4-bromoindole-3-carbaldehyde (CID 155678231) is 1-benzoyl-4-bromoindole-3-carbaldehyde.
What is the SMILES notation for 1-benzoyl-4-bromoindole-3-carbaldehyde?
The canonical SMILES for 1-benzoyl-4-bromoindole-3-carbaldehyde is O=Cc1cn(C(=O)c2ccccc2)c2cccc(Br)c12.
What is the InChIKey of 1-benzoyl-4-bromoindole-3-carbaldehyde?
The InChIKey is UYIVUKFTZSTBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2/c17-13-7-4-8-14-15(13)12(10-19)9-18(14)16(20)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 1-benzoyl-4-bromoindole-3-carbaldehyde?
1-benzoyl-4-bromoindole-3-carbaldehyde has a molecular weight of 328.17 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-bromoindole-3-carbaldehyde is sourced from PubChem (CID 155678231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).