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

C20H17BrClN3O — CID 59173231

IUPACN-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
SMILESCc1[nH]c2c(Br)cccc2c1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H17BrClN3O/c1-11-14(15-3-2-4-16(21)19(15)24-11)7-8-23-20(26)18-10-12-9-13(22)5-6-17(12)25-18/h2-6,9-10,24-25H,7-8H2,1H3,(H,23,26)
InChIKeyGMRWOLZLGUOWOX-UHFFFAOYSA-N
MW430.73 g/mol
LogP5.35
Rot. Bonds4

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

N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 59173231) has the molecular formula C20H17BrClN3O and a molecular weight of 430.73 g/mol. Its IUPAC name is N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
PubChem CID59173231
Molecular FormulaC20H17BrClN3O
Molecular Weight430.73 g/mol
Exact Mass429.02
IUPAC NameN-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
SMILESCc1[nH]c2c(Br)cccc2c1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H17BrClN3O/c1-11-14(15-3-2-4-16(21)19(15)24-11)7-8-23-20(26)18-10-12-9-13(22)5-6-17(12)25-18/h2-6,9-10,24-25H,7-8H2,1H3,(H,23,26)
InChIKeyGMRWOLZLGUOWOX-UHFFFAOYSA-N
XLogP5.35
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-1H-indol-2-yl)-5-(7-chloro-2-methyl-1H-indol-3-yl)pentan-1-one
CID 91516728
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 70920633
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 70919144
3-[4-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethylcarbamoyl]phenyl]-N-methylbenzamide
CID 59173236
6-methoxy-N-[2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]ethyl]-1H-indole-2-carboxamide
CID 44624873
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 82501777
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-5-N-(3-hydroxy-2,2-dimethylpropyl)-1H-indole-2,5-dicarboxamide
CID 44625269
4-(7-bromo-2-methyl-1H-indol-3-yl)butan-2-one
CID 82502192

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide (CID 59173231) is N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide is Cc1[nH]c2c(Br)cccc2c1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is GMRWOLZLGUOWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN3O/c1-11-14(15-3-2-4-16(21)19(15)24-11)7-8-23-20(26)18-10-12-9-13(22)5-6-17(12)25-18/h2-6,9-10,24-25H,7-8H2,1H3,(H,23,26).
What are the key properties of N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide?
N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 430.73 g/mol, XLogP of 5.35, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 59173231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).