N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide

C27H23BrFN3O2 — CID 70919144

IUPACN-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide
SMILESCc1[nH]c2c(F)cc(Br)cc2c1CCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C27H23BrFN3O2/c1-16-21(22-13-19(28)14-23(29)26(22)31-16)9-10-30-27(33)25-12-18-11-20(7-8-24(18)32-25)34-15-17-5-3-2-4-6-17/h2-8,11-14,31-32H,9-10,15H2,1H3,(H,30,33)
InChIKeyRVGZSIZLMBDPEG-UHFFFAOYSA-N
MW520.40 g/mol
LogP6.41
Rot. Bonds7

About N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide

N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide (PubChem CID 70919144) has the molecular formula C27H23BrFN3O2 and a molecular weight of 520.40 g/mol. Its IUPAC name is N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide
PubChem CID70919144
Molecular FormulaC27H23BrFN3O2
Molecular Weight520.40 g/mol
Exact Mass519.10
IUPAC NameN-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide
SMILESCc1[nH]c2c(F)cc(Br)cc2c1CCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C27H23BrFN3O2/c1-16-21(22-13-19(28)14-23(29)26(22)31-16)9-10-30-27(33)25-12-18-11-20(7-8-24(18)32-25)34-15-17-5-3-2-4-6-17/h2-8,11-14,31-32H,9-10,15H2,1H3,(H,30,33)
InChIKeyRVGZSIZLMBDPEG-UHFFFAOYSA-N
XLogP6.41
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.40
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 70920633
N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
CID 59173231
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 71190441
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide
CID 44624873
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
cis-2,2,2-trifluoroethyl (1R,2S)-2-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylate
CID 40850874
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide (CID 70919144) is N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide is Cc1[nH]c2c(F)cc(Br)cc2c1CCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
The InChIKey is RVGZSIZLMBDPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrFN3O2/c1-16-21(22-13-19(28)14-23(29)26(22)31-16)9-10-30-27(33)25-12-18-11-20(7-8-24(18)32-25)34-15-17-5-3-2-4-6-17/h2-8,11-14,31-32H,9-10,15H2,1H3,(H,30,33).
What are the key properties of N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide?
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide has a molecular weight of 520.40 g/mol, XLogP of 6.41, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 70919144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).