N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide

C14H15BrN2O2 — CID 112537471

IUPACN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide
SMILESCC(=O)N(C(=O)C1CC1)c1cc(Br)cc2c1NCC2
InChIInChI=1S/C14H15BrN2O2/c1-8(18)17(14(19)9-2-3-9)12-7-11(15)6-10-4-5-16-13(10)12/h6-7,9,16H,2-5H2,1H3
InChIKeyHXCBKOVZXOTNAV-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.71
Rot. Bonds2

About N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide

N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide (PubChem CID 112537471) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide
PubChem CID112537471
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide
SMILESCC(=O)N(C(=O)C1CC1)c1cc(Br)cc2c1NCC2
InChIInChI=1S/C14H15BrN2O2/c1-8(18)17(14(19)9-2-3-9)12-7-11(15)6-10-4-5-16-13(10)12/h6-7,9,16H,2-5H2,1H3
InChIKeyHXCBKOVZXOTNAV-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide?
The IUPAC name of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide (CID 112537471) is N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide?
The canonical SMILES for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide is CC(=O)N(C(=O)C1CC1)c1cc(Br)cc2c1NCC2.
What is the InChIKey of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide?
The InChIKey is HXCBKOVZXOTNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-8(18)17(14(19)9-2-3-9)12-7-11(15)6-10-4-5-16-13(10)12/h6-7,9,16H,2-5H2,1H3.
What are the key properties of N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide?
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)cyclopropanecarboxamide is sourced from PubChem (CID 112537471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).