(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone

C16H11BrFNO2 — CID 43248300

IUPAC(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3cc(F)cc(Br)c3)c2c1
InChIInChI=1S/C16H11BrFNO2/c1-21-12-2-3-15-13(7-12)14(8-19-15)16(20)9-4-10(17)6-11(18)5-9/h2-8,19H,1H3
InChIKeyGTPGPOSVJMKVEI-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.31
Rot. Bonds3

About (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone

(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 43248300) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID43248300
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3cc(F)cc(Br)c3)c2c1
InChIInChI=1S/C16H11BrFNO2/c1-21-12-2-3-15-13(7-12)14(8-19-15)16(20)9-4-10(17)6-11(18)5-9/h2-8,19H,1H3
InChIKeyGTPGPOSVJMKVEI-UHFFFAOYSA-N
XLogP4.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
3-(3-bromo-5-fluorobenzoyl)-1H-indole-5-carbonitrile
CID 107919850
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone (CID 43248300) is (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)c3cc(F)cc(Br)c3)c2c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is GTPGPOSVJMKVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-21-12-2-3-15-13(7-12)14(8-19-15)16(20)9-4-10(17)6-11(18)5-9/h2-8,19H,1H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone?
(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 348.17 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 43248300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).