2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide

C16H15Br2NO2 — CID 8752261

IUPAC2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H15Br2NO2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-9-13(21-2)7-8-15(14)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyLEAQYIJXWNQNLW-JTQLQIEISA-N
MW413.11 g/mol
LogP4.71
Rot. Bonds4

About 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide

2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide (PubChem CID 8752261) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
PubChem CID8752261
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H15Br2NO2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-9-13(21-2)7-8-15(14)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyLEAQYIJXWNQNLW-JTQLQIEISA-N
XLogP4.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 115413632
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 43404116
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
N-(4-amino-4-oxobutan-2-yl)-2-bromo-5-methoxybenzamide
CID 115649764
2-bromo-N-(5-chloropentan-2-yl)-5-methoxybenzamide
CID 114305731
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
CID 17496272

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide (CID 8752261) is 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide?
The InChIKey is LEAQYIJXWNQNLW-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-10(11-3-5-12(17)6-4-11)19-16(20)14-9-13(21-2)7-8-15(14)18/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide?
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide has a molecular weight of 413.11 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide is sourced from PubChem (CID 8752261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).