2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide

C19H20BrNO3 — CID 100692806

IUPAC2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N[C@H](C)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20BrNO3/c1-12(9-13-3-6-18-14(10-13)7-8-24-18)21-19(22)16-11-15(23-2)4-5-17(16)20/h3-6,10-12H,7-9H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyYFEIGZRISFQYGC-GFCCVEGCSA-N
MW390.28 g/mol
LogP3.75
Rot. Bonds5

About 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide

2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide (PubChem CID 100692806) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide
PubChem CID100692806
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N[C@H](C)Cc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20BrNO3/c1-12(9-13-3-6-18-14(10-13)7-8-24-18)21-19(22)16-11-15(23-2)4-5-17(16)20/h3-6,10-12H,7-9H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyYFEIGZRISFQYGC-GFCCVEGCSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide with MolForge

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Related Compounds

2-chloro-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]benzamide
CID 100691959
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813507
N-(4-amino-4-oxobutan-2-yl)-2-bromo-5-methoxybenzamide
CID 115649764
2-bromo-N-(5-chloropentan-2-yl)-5-methoxybenzamide
CID 114305731
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 65327998
2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]acetamide
CID 91813491
1-(1,3-benzodioxol-5-yl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813586
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
CID 124725331
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200694
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
CID 100694624
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-phenylsulfanylpropanamide
CID 100692443

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide (CID 100692806) is 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)N[C@H](C)Cc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide?
The InChIKey is YFEIGZRISFQYGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-12(9-13-3-6-18-14(10-13)7-8-24-18)21-19(22)16-11-15(23-2)4-5-17(16)20/h3-6,10-12H,7-9H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide?
2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide has a molecular weight of 390.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 100692806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).