2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide

C17H17Br2NO3 — CID 1220452

IUPAC2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(Br)c([C@@H](C)NC(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C17H17Br2NO3/c1-10(20-17(21)11-6-4-5-7-13(11)18)12-8-15(22-2)16(23-3)9-14(12)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyNUZDZSJKRIQNPX-SNVBAGLBSA-N
MW443.14 g/mol
LogP4.72
Rot. Bonds5

About 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide

2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide (PubChem CID 1220452) has the molecular formula C17H17Br2NO3 and a molecular weight of 443.14 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
PubChem CID1220452
Molecular FormulaC17H17Br2NO3
Molecular Weight443.14 g/mol
Exact Mass440.96
IUPAC Name2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(Br)c([C@@H](C)NC(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C17H17Br2NO3/c1-10(20-17(21)11-6-4-5-7-13(11)18)12-8-15(22-2)16(23-3)9-14(12)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyNUZDZSJKRIQNPX-SNVBAGLBSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.14
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 1008408
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 100899430
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
2-bromo-N-[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101490
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9220094
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide
CID 51956574

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide (CID 1220452) is 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide is COc1cc(Br)c([C@@H](C)NC(=O)c2ccccc2Br)cc1OC.
What is the InChIKey of 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is NUZDZSJKRIQNPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17Br2NO3/c1-10(20-17(21)11-6-4-5-7-13(11)18)12-8-15(22-2)16(23-3)9-14(12)19/h4-10H,1-3H3,(H,20,21)/t10-/m1/s1.
What are the key properties of 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide?
2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 443.14 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1R)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 1220452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).