N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide

C18H16BrNO3 — CID 86267113

IUPACN-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
SMILESCC(O)(CNC(=O)c1ccccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C18H16BrNO3/c1-18(22,16-10-12-6-2-5-9-15(12)23-16)11-20-17(21)13-7-3-4-8-14(13)19/h2-10,22H,11H2,1H3,(H,20,21)
InChIKeyGCLYMBXKRWWSSA-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.83
Rot. Bonds4

About N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide

N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide (PubChem CID 86267113) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
PubChem CID86267113
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC NameN-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide
SMILESCC(O)(CNC(=O)c1ccccc1Br)c1cc2ccccc2o1
InChIInChI=1S/C18H16BrNO3/c1-18(22,16-10-12-6-2-5-9-15(12)23-16)11-20-17(21)13-7-3-4-8-14(13)19/h2-10,22H,11H2,1H3,(H,20,21)
InChIKeyGCLYMBXKRWWSSA-UHFFFAOYSA-N
XLogP3.83
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 86267084
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999453
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3,4-difluorobenzamide
CID 99999455
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 99999920
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99999937
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
N-[(2S)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(3-chlorophenyl)propanamide
CID 99999850
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide (CID 86267113) is N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide is CC(O)(CNC(=O)c1ccccc1Br)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide?
The InChIKey is GCLYMBXKRWWSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-18(22,16-10-12-6-2-5-9-15(12)23-16)11-20-17(21)13-7-3-4-8-14(13)19/h2-10,22H,11H2,1H3,(H,20,21).
What are the key properties of N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide?
N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide has a molecular weight of 374.23 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-bromobenzamide is sourced from PubChem (CID 86267113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).