N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide

C19H18BrNO3 — CID 124725331

IUPACN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)c1
InChIInChI=1S/C19H18BrNO3/c1-12(9-15-10-13-5-3-4-6-18(13)24-15)21-19(22)16-11-14(23-2)7-8-17(16)20/h3-8,10-12H,9H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyDQSDXVARSBYISS-LBPRGKRZSA-N
MW388.26 g/mol
LogP4.56
Rot. Bonds5

About N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide (PubChem CID 124725331) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
PubChem CID124725331
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC NameN-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)c1
InChIInChI=1S/C19H18BrNO3/c1-12(9-15-10-13-5-3-4-6-18(13)24-15)21-19(22)16-11-14(23-2)7-8-17(16)20/h3-8,10-12H,9H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyDQSDXVARSBYISS-LBPRGKRZSA-N
XLogP4.56
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
CID 17496272
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381
2-bromo-N-(5-chloropentan-2-yl)-5-methoxybenzamide
CID 114305731
N-(4-amino-4-oxobutan-2-yl)-2-bromo-5-methoxybenzamide
CID 115649764
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1,2-oxazole-5-carboxamide
CID 124760447
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 119104185
2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide
CID 100692806
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-chloro-6-fluorobenzamide
CID 124892455

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide?
The IUPAC name of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide (CID 124725331) is N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)N[C@@H](C)Cc2cc3ccccc3o2)c1.
What is the InChIKey of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide?
The InChIKey is DQSDXVARSBYISS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-12(9-15-10-13-5-3-4-6-18(13)24-15)21-19(22)16-11-14(23-2)7-8-17(16)20/h3-8,10-12H,9H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide?
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide has a molecular weight of 388.26 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 124725331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).