2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide

C19H17BrFNO3 — CID 25468831

IUPAC2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
SMILESCCOc1cccc2cc([C@H](C)NC(=O)c3cc(F)ccc3Br)oc12
InChIInChI=1S/C19H17BrFNO3/c1-3-24-16-6-4-5-12-9-17(25-18(12)16)11(2)22-19(23)14-10-13(21)7-8-15(14)20/h4-11H,3H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyGIAHDOKSPXFGBS-NSHDSACASA-N
MW406.25 g/mol
LogP5.22
Rot. Bonds5

About 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide

2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide (PubChem CID 25468831) has the molecular formula C19H17BrFNO3 and a molecular weight of 406.25 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
PubChem CID25468831
Molecular FormulaC19H17BrFNO3
Molecular Weight406.25 g/mol
Exact Mass405.04
IUPAC Name2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
SMILESCCOc1cccc2cc([C@H](C)NC(=O)c3cc(F)ccc3Br)oc12
InChIInChI=1S/C19H17BrFNO3/c1-3-24-16-6-4-5-12-9-17(25-18(12)16)11(2)22-19(23)14-10-13(21)7-8-15(14)20/h4-11H,3H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyGIAHDOKSPXFGBS-NSHDSACASA-N
XLogP5.22
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
2-bromo-N-[1-(3,4-diethoxyphenyl)ethyl]-5-fluorobenzamide
CID 43022804
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
1-[(2,4-difluorophenyl)methyl]-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-methylurea
CID 55590356
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55633376
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968255
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666808
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide (CID 25468831) is 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide is CCOc1cccc2cc([C@H](C)NC(=O)c3cc(F)ccc3Br)oc12.
What is the InChIKey of 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide?
The InChIKey is GIAHDOKSPXFGBS-NSHDSACASA-N. The full InChI is InChI=1S/C19H17BrFNO3/c1-3-24-16-6-4-5-12-9-17(25-18(12)16)11(2)22-19(23)14-10-13(21)7-8-15(14)20/h4-11H,3H2,1-2H3,(H,22,23)/t11-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide?
2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide has a molecular weight of 406.25 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide is sourced from PubChem (CID 25468831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).