3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide

C20H19Br2N3O2 — CID 102122525

IUPAC3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide
SMILESO=C(CCc1c[nH]c2c(Br)cccc12)NCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C20H19Br2N3O2/c21-15-4-1-3-13(9-15)10-23-19(27)12-24-18(26)8-7-14-11-25-20-16(14)5-2-6-17(20)22/h1-6,9,11,25H,7-8,10,12H2,(H,23,27)(H,24,26)
InChIKeyNUBGSJLRULFVNS-UHFFFAOYSA-N
MW493.20 g/mol
LogP4.06
Rot. Bonds7

About 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide

3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide (PubChem CID 102122525) has the molecular formula C20H19Br2N3O2 and a molecular weight of 493.20 g/mol. Its IUPAC name is 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide
PubChem CID102122525
Molecular FormulaC20H19Br2N3O2
Molecular Weight493.20 g/mol
Exact Mass490.98
IUPAC Name3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide
SMILESO=C(CCc1c[nH]c2c(Br)cccc12)NCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C20H19Br2N3O2/c21-15-4-1-3-13(9-15)10-23-19(27)12-24-18(26)8-7-14-11-25-20-16(14)5-2-6-17(20)22/h1-6,9,11,25H,7-8,10,12H2,(H,23,27)(H,24,26)
InChIKeyNUBGSJLRULFVNS-UHFFFAOYSA-N
XLogP4.06
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.20
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
CID 61401625
2-[[2-[3-(3-bromophenyl)propanoylamino]acetyl]amino]acetic acid
CID 43387616
2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 112993174
methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
CID 25058616
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899803
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
5-[(3-bromophenyl)methylamino]-5-oxopentanoate
CID 7330207
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
CID 79192945
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide?
The IUPAC name of 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide (CID 102122525) is 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide?
The canonical SMILES for 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide is O=C(CCc1c[nH]c2c(Br)cccc12)NCC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide?
The InChIKey is NUBGSJLRULFVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2N3O2/c21-15-4-1-3-13(9-15)10-23-19(27)12-24-18(26)8-7-14-11-25-20-16(14)5-2-6-17(20)22/h1-6,9,11,25H,7-8,10,12H2,(H,23,27)(H,24,26).
What are the key properties of 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide?
3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide has a molecular weight of 493.20 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1H-indol-3-yl)-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 102122525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).