5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide

C15H19BrN2O2 — CID 39983958

IUPAC5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C15H19BrN2O2/c1-10(2)20-7-3-6-17-15(19)14-9-11-8-12(16)4-5-13(11)18-14/h4-5,8-10,18H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyQCQQVRSGEDBUGN-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.48
Rot. Bonds6

About 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide

5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide (PubChem CID 39983958) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
PubChem CID39983958
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C15H19BrN2O2/c1-10(2)20-7-3-6-17-15(19)14-9-11-8-12(16)4-5-13(11)18-14/h4-5,8-10,18H,3,6-7H2,1-2H3,(H,17,19)
InChIKeyQCQQVRSGEDBUGN-UHFFFAOYSA-N
XLogP3.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
CID 107261519
6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide
CID 110416375
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
CID 24678417
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
5-bromo-N,N-diethyl-1H-indole-2-carboxamide
CID 46555997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide (CID 39983958) is 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide is CC(C)OCCCNC(=O)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide?
The InChIKey is QCQQVRSGEDBUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(2)20-7-3-6-17-15(19)14-9-11-8-12(16)4-5-13(11)18-14/h4-5,8-10,18H,3,6-7H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide?
5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-propan-2-yloxypropyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 39983958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).