N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide

C17H15Br2NO2 — CID 177471162

IUPACN-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C(=O)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C17H15Br2NO2/c1-11(21)20(2)16(12-7-3-5-9-14(12)18)17(22)13-8-4-6-10-15(13)19/h3-10,16H,1-2H3
InChIKeyIVTROWGUXOORPH-UHFFFAOYSA-N
MW425.12 g/mol
LogP4.61
Rot. Bonds4

About N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide

N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide (PubChem CID 177471162) has the molecular formula C17H15Br2NO2 and a molecular weight of 425.12 g/mol. Its IUPAC name is N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide
PubChem CID177471162
Molecular FormulaC17H15Br2NO2
Molecular Weight425.12 g/mol
Exact Mass422.95
IUPAC NameN-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide
SMILESCC(=O)N(C)C(C(=O)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C17H15Br2NO2/c1-11(21)20(2)16(12-7-3-5-9-14(12)18)17(22)13-8-4-6-10-15(13)19/h3-10,16H,1-2H3
InChIKeyIVTROWGUXOORPH-UHFFFAOYSA-N
XLogP4.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.12
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide (CID 177471162) is N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide is CC(=O)N(C)C(C(=O)c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide?
The InChIKey is IVTROWGUXOORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO2/c1-11(21)20(2)16(12-7-3-5-9-14(12)18)17(22)13-8-4-6-10-15(13)19/h3-10,16H,1-2H3.
What are the key properties of N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide?
N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide has a molecular weight of 425.12 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(2-bromophenyl)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 177471162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).