4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide

C22H17BrN2O3 — CID 56548407

IUPAC4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)N3CCc4cc(Br)ccc43)cc2)cc1
InChIInChI=1S/C22H17BrN2O3/c23-17-5-10-20-16(13-17)11-12-25(20)22(27)15-3-8-19(9-4-15)28-18-6-1-14(2-7-18)21(24)26/h1-10,13H,11-12H2,(H2,24,26)
InChIKeyQXYOLHIIAKGLKV-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.54
Rot. Bonds4

About 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide

4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide (PubChem CID 56548407) has the molecular formula C22H17BrN2O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide
PubChem CID56548407
Molecular FormulaC22H17BrN2O3
Molecular Weight437.29 g/mol
Exact Mass436.04
IUPAC Name4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)N3CCc4cc(Br)ccc43)cc2)cc1
InChIInChI=1S/C22H17BrN2O3/c23-17-5-10-20-16(13-17)11-12-25(20)22(27)15-3-8-19(9-4-15)28-18-6-1-14(2-7-18)21(24)26/h1-10,13H,11-12H2,(H2,24,26)
InChIKeyQXYOLHIIAKGLKV-UHFFFAOYSA-N
XLogP4.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
(5-bromo-2,3-dihydroindol-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 47444598
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 52770474
(5-bromo-2,3-dihydroindol-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 51126615
4-(4-carbamoylphenoxy)benzamide
CID 156597124

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide?
The IUPAC name of 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide (CID 56548407) is 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide.
What is the SMILES notation for 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide?
The canonical SMILES for 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)N3CCc4cc(Br)ccc43)cc2)cc1.
What is the InChIKey of 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide?
The InChIKey is QXYOLHIIAKGLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O3/c23-17-5-10-20-16(13-17)11-12-25(20)22(27)15-3-8-19(9-4-15)28-18-6-1-14(2-7-18)21(24)26/h1-10,13H,11-12H2,(H2,24,26).
What are the key properties of 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide?
4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide has a molecular weight of 437.29 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromo-2,3-dihydroindole-1-carbonyl)phenoxy]benzamide is sourced from PubChem (CID 56548407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).