N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide

C19H19BrN2O2 — CID 21263051

IUPACN-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide
SMILESCOc1cc2c(CCNC=O)c(-c3ccc(C)cc3)[nH]c2cc1Br
InChIInChI=1S/C19H19BrN2O2/c1-12-3-5-13(6-4-12)19-14(7-8-21-11-23)15-9-18(24-2)16(20)10-17(15)22-19/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23)
InChIKeyBOPAFLVGZNJBME-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.20
Rot. Bonds6

About N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide

N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide (PubChem CID 21263051) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide
PubChem CID21263051
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide
SMILESCOc1cc2c(CCNC=O)c(-c3ccc(C)cc3)[nH]c2cc1Br
InChIInChI=1S/C19H19BrN2O2/c1-12-3-5-13(6-4-12)19-14(7-8-21-11-23)15-9-18(24-2)16(20)10-17(15)22-19/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23)
InChIKeyBOPAFLVGZNJBME-UHFFFAOYSA-N
XLogP4.20
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide?
The IUPAC name of N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide (CID 21263051) is N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide?
The canonical SMILES for N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide is COc1cc2c(CCNC=O)c(-c3ccc(C)cc3)[nH]c2cc1Br.
What is the InChIKey of N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide?
The InChIKey is BOPAFLVGZNJBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-12-3-5-13(6-4-12)19-14(7-8-21-11-23)15-9-18(24-2)16(20)10-17(15)22-19/h3-6,9-11,22H,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide?
N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide has a molecular weight of 387.28 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-bromo-5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]formamide is sourced from PubChem (CID 21263051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).