2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide

C18H16BrFN2O — CID 113083740

IUPAC2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H16BrFN2O/c19-14-3-1-2-12(8-14)9-18(23)21-7-6-13-11-22-17-10-15(20)4-5-16(13)17/h1-5,8,10-11,22H,6-7,9H2,(H,21,23)
InChIKeyBOYGRJVUGZYSMZ-UHFFFAOYSA-N
MW375.24 g/mol
LogP3.97
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide

2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide (PubChem CID 113083740) has the molecular formula C18H16BrFN2O and a molecular weight of 375.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
PubChem CID113083740
Molecular FormulaC18H16BrFN2O
Molecular Weight375.24 g/mol
Exact Mass374.04
IUPAC Name2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H16BrFN2O/c19-14-3-1-2-12(8-14)9-18(23)21-7-6-13-11-22-17-10-15(20)4-5-16(13)17/h1-5,8,10-11,22H,6-7,9H2,(H,21,23)
InChIKeyBOYGRJVUGZYSMZ-UHFFFAOYSA-N
XLogP3.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N-[2-[[N-ethyl-N'-[2-(6-fluoro-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111888987
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60607228
2-[[ethylamino-[2-(6-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111888256
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111464495
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide (CID 113083740) is 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide is O=C(Cc1cccc(Br)c1)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is BOYGRJVUGZYSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O/c19-14-3-1-2-12(8-14)9-18(23)21-7-6-13-11-22-17-10-15(20)4-5-16(13)17/h1-5,8,10-11,22H,6-7,9H2,(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide?
2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 375.24 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 113083740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).