(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

C16H11BrClNO2 — CID 107950029

IUPAC(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cc(Cl)cc(Br)c3)c12
InChIInChI=1S/C16H11BrClNO2/c1-21-14-4-2-3-13-15(14)12(8-19-13)16(20)9-5-10(17)7-11(18)6-9/h2-8,19H,1H3
InChIKeyLENBXZCLXAMLNB-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.82
Rot. Bonds3

About (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone

(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (PubChem CID 107950029) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
PubChem CID107950029
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]cc(C(=O)c3cc(Cl)cc(Br)c3)c12
InChIInChI=1S/C16H11BrClNO2/c1-21-14-4-2-3-13-15(14)12(8-19-13)16(20)9-5-10(17)7-11(18)6-9/h2-8,19H,1H3
InChIKeyLENBXZCLXAMLNB-UHFFFAOYSA-N
XLogP4.82
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261
(4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83162948
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(4-methoxy-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 83163567
(2-amino-4-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166272
(3-amino-4-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166137
(2,3-dichlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164275
(3-chloro-2-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107096221
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone (CID 107950029) is (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is COc1cccc2[nH]cc(C(=O)c3cc(Cl)cc(Br)c3)c12.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
The InChIKey is LENBXZCLXAMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c1-21-14-4-2-3-13-15(14)12(8-19-13)16(20)9-5-10(17)7-11(18)6-9/h2-8,19H,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone?
(3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone has a molecular weight of 364.63 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 107950029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).