2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide

C21H19BrN2O2 — CID 7178883

IUPAC2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1Br
InChIInChI=1S/C21H19BrN2O2/c22-17-8-3-2-7-16(17)21(25)23-14-19(20-10-5-13-26-20)24-12-11-15-6-1-4-9-18(15)24/h1-10,13,19H,11-12,14H2,(H,23,25)/t19-/m1/s1
InChIKeyPPPVZDDNONISST-LJQANCHMSA-N
MW411.30 g/mol
LogP4.58
Rot. Bonds5

About 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide

2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 7178883) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
PubChem CID7178883
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1Br
InChIInChI=1S/C21H19BrN2O2/c22-17-8-3-2-7-16(17)21(25)23-14-19(20-10-5-13-26-20)24-12-11-15-6-1-4-9-18(15)24/h1-10,13,19H,11-12,14H2,(H,23,25)/t19-/m1/s1
InChIKeyPPPVZDDNONISST-LJQANCHMSA-N
XLogP4.58
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525289
2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525288
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
CID 7178943
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18577477
5-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 16803269
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7178897
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525394
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525395
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 7525308
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-hydroxypropyl)oxamide
CID 7525356

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide (CID 7178883) is 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide is O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is PPPVZDDNONISST-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c22-17-8-3-2-7-16(17)21(25)23-14-19(20-10-5-13-26-20)24-12-11-15-6-1-4-9-18(15)24/h1-10,13,19H,11-12,14H2,(H,23,25)/t19-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide?
2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 411.30 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 7178883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).