2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide

C19H20BrNO3 — CID 91631307

IUPAC2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2(OC)Cc3ccccc3C2)c1
InChIInChI=1S/C19H20BrNO3/c1-23-15-7-8-17(20)16(9-15)18(22)21-12-19(24-2)10-13-5-3-4-6-14(13)11-19/h3-9H,10-12H2,1-2H3,(H,21,22)
InChIKeySUARCRADFNSZBC-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.37
Rot. Bonds5

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

2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide (PubChem CID 91631307) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide
PubChem CID91631307
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2(OC)Cc3ccccc3C2)c1
InChIInChI=1S/C19H20BrNO3/c1-23-15-7-8-17(20)16(9-15)18(22)21-12-19(24-2)10-13-5-3-4-6-14(13)11-19/h3-9H,10-12H2,1-2H3,(H,21,22)
InChIKeySUARCRADFNSZBC-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
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N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 91631285
2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
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CID 129397711
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
CID 99872851
2-bromo-5-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
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N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide (CID 91631307) is 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide is COc1ccc(Br)c(C(=O)NCC2(OC)Cc3ccccc3C2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide?
The InChIKey is SUARCRADFNSZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-23-15-7-8-17(20)16(9-15)18(22)21-12-19(24-2)10-13-5-3-4-6-14(13)11-19/h3-9H,10-12H2,1-2H3,(H,21,22).
What are the key properties of 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide?
2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide has a molecular weight of 390.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]benzamide is sourced from PubChem (CID 91631307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).