N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide

C16H13BrN2O — CID 2093840

IUPACN-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O/c17-12-5-7-13(8-6-12)19-16(20)9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,18H,9H2,(H,19,20)
InChIKeyHWIWGYZWLZZVSS-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.11
Rot. Bonds3

About N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide

N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 2093840) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
PubChem CID2093840
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O/c17-12-5-7-13(8-6-12)19-16(20)9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,18H,9H2,(H,19,20)
InChIKeyHWIWGYZWLZZVSS-UHFFFAOYSA-N
XLogP4.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5371768
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 3285131
2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide
CID 95785414
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide (CID 2093840) is N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is HWIWGYZWLZZVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-12-5-7-13(8-6-12)19-16(20)9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,18H,9H2,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide?
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 329.20 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 2093840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).