N-(7-bromo-1H-indol-4-yl)acetamide

C10H9BrN2O — CID 59051707

IUPACN-(7-bromo-1H-indol-4-yl)acetamide
SMILESCC(=O)Nc1ccc(Br)c2[nH]ccc12
InChIInChI=1S/C10H9BrN2O/c1-6(14)13-9-3-2-8(11)10-7(9)4-5-12-10/h2-5,12H,1H3,(H,13,14)
InChIKeyIPTJKUQCKDSZPA-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.89
Rot. Bonds1

About N-(7-bromo-1H-indol-4-yl)acetamide

N-(7-bromo-1H-indol-4-yl)acetamide (PubChem CID 59051707) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-(7-bromo-1H-indol-4-yl)acetamide.

Molecular Properties

Compound NameN-(7-bromo-1H-indol-4-yl)acetamide
PubChem CID59051707
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-(7-bromo-1H-indol-4-yl)acetamide
SMILESCC(=O)Nc1ccc(Br)c2[nH]ccc12
InChIInChI=1S/C10H9BrN2O/c1-6(14)13-9-3-2-8(11)10-7(9)4-5-12-10/h2-5,12H,1H3,(H,13,14)
InChIKeyIPTJKUQCKDSZPA-UHFFFAOYSA-N
XLogP2.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide
CID 4183383
N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(8-bromoisoquinolin-5-yl)acetamide
CID 18435891
(7-bromo-5-fluoro-1H-indol-4-yl) acetate
CID 170790781
N-(8-methyl-2-oxo-1H-quinolin-5-yl)acetamide
CID 130007544
N-(6-chloro-1H-indol-4-yl)acetamide
CID 122534007
N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetamide
CID 90287303
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide
CID 88931176
N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
methyl 5-bromo-1H-indole-4-carboxylate
CID 71045794
N-(6-bromo-1H-indol-3-yl)acetamide
CID 70122849

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1H-indol-4-yl)acetamide?
The IUPAC name of N-(7-bromo-1H-indol-4-yl)acetamide (CID 59051707) is N-(7-bromo-1H-indol-4-yl)acetamide.
What is the SMILES notation for N-(7-bromo-1H-indol-4-yl)acetamide?
The canonical SMILES for N-(7-bromo-1H-indol-4-yl)acetamide is CC(=O)Nc1ccc(Br)c2[nH]ccc12.
What is the InChIKey of N-(7-bromo-1H-indol-4-yl)acetamide?
The InChIKey is IPTJKUQCKDSZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6(14)13-9-3-2-8(11)10-7(9)4-5-12-10/h2-5,12H,1H3,(H,13,14).
What are the key properties of N-(7-bromo-1H-indol-4-yl)acetamide?
N-(7-bromo-1H-indol-4-yl)acetamide has a molecular weight of 253.10 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-1H-indol-4-yl)acetamide is sourced from PubChem (CID 59051707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).