N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide

C16H14BrN3O2 — CID 55976013

IUPACN-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCOc1cccc(Br)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H14BrN3O2/c17-11-4-3-5-12(10-11)22-9-8-18-16(21)15-13-6-1-2-7-14(13)19-20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyDAYXTWNHYMXXGR-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide

N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide (PubChem CID 55976013) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
PubChem CID55976013
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCOc1cccc(Br)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H14BrN3O2/c17-11-4-3-5-12(10-11)22-9-8-18-16(21)15-13-6-1-2-7-14(13)19-20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyDAYXTWNHYMXXGR-UHFFFAOYSA-N
XLogP3.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
CID 47091227
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
CID 99336157
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
N-[2-(3-bromophenoxy)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75505499
N-(3-bromo-5-methoxyphenyl)-1H-indazole-3-carboxamide
CID 82860621
3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide
CID 55818324
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide (CID 55976013) is N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide is O=C(NCCOc1cccc(Br)c1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is DAYXTWNHYMXXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c17-11-4-3-5-12(10-11)22-9-8-18-16(21)15-13-6-1-2-7-14(13)19-20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide?
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 55976013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).