N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide

C18H19BrN2O2 — CID 112992420

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-21(13-15-5-3-2-4-6-15)18(23)12-20-17(22)11-14-7-9-16(19)10-8-14/h2-10H,11-13H2,1H3,(H,20,22)
InChIKeyAONNXQGXJRZARA-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.77
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide (PubChem CID 112992420) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
PubChem CID112992420
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-21(13-15-5-3-2-4-6-15)18(23)12-20-17(22)11-14-7-9-16(19)10-8-14/h2-10H,11-13H2,1H3,(H,20,22)
InChIKeyAONNXQGXJRZARA-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide (CID 112992420) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide is CN(Cc1ccccc1)C(=O)CNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide?
The InChIKey is AONNXQGXJRZARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-21(13-15-5-3-2-4-6-15)18(23)12-20-17(22)11-14-7-9-16(19)10-8-14/h2-10H,11-13H2,1H3,(H,20,22).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide has a molecular weight of 375.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 112992420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).