2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide

C18H18BrNO3 — CID 71782171

IUPAC2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C18H18BrNO3/c1-23-13-6-7-16(19)14(10-13)17(21)20-11-18(22)9-8-12-4-2-3-5-15(12)18/h2-7,10,22H,8-9,11H2,1H3,(H,20,21)
InChIKeyUSVZDHDNIXJECA-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.02
Rot. Bonds4

About 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide

2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide (PubChem CID 71782171) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
PubChem CID71782171
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C18H18BrNO3/c1-23-13-6-7-16(19)14(10-13)17(21)20-11-18(22)9-8-12-4-2-3-5-15(12)18/h2-7,10,22H,8-9,11H2,1H3,(H,20,21)
InChIKeyUSVZDHDNIXJECA-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide
CID 91631307
2-bromo-5-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]benzamide
CID 113252964
2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
CID 30522406
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 95983066
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499236
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methoxybenzamide
CID 129397711
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 95983104
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide (CID 71782171) is 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC2(O)CCc3ccccc32)c1.
What is the InChIKey of 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide?
The InChIKey is USVZDHDNIXJECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-23-13-6-7-16(19)14(10-13)17(21)20-11-18(22)9-8-12-4-2-3-5-15(12)18/h2-7,10,22H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide?
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide has a molecular weight of 376.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 71782171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).