N-[acetamido-(4-bromophenyl)methyl]acetamide

C11H13BrN2O2 — CID 2830161

IUPACN-[acetamido-(4-bromophenyl)methyl]acetamide
SMILESCC(=O)NC(NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c1-7(15)13-11(14-8(2)16)9-3-5-10(12)6-4-9/h3-6,11H,1-2H3,(H,13,15)(H,14,16)
InChIKeyNCHPIBXOKZYAQF-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.72
Rot. Bonds3

About N-[acetamido-(4-bromophenyl)methyl]acetamide

N-[acetamido-(4-bromophenyl)methyl]acetamide (PubChem CID 2830161) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-[acetamido-(4-bromophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[acetamido-(4-bromophenyl)methyl]acetamide
PubChem CID2830161
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-[acetamido-(4-bromophenyl)methyl]acetamide
SMILESCC(=O)NC(NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O2/c1-7(15)13-11(14-8(2)16)9-3-5-10(12)6-4-9/h3-6,11H,1-2H3,(H,13,15)(H,14,16)
InChIKeyNCHPIBXOKZYAQF-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[acetamido-(4-bromophenyl)methyl]acetamide?
The IUPAC name of N-[acetamido-(4-bromophenyl)methyl]acetamide (CID 2830161) is N-[acetamido-(4-bromophenyl)methyl]acetamide.
What is the SMILES notation for N-[acetamido-(4-bromophenyl)methyl]acetamide?
The canonical SMILES for N-[acetamido-(4-bromophenyl)methyl]acetamide is CC(=O)NC(NC(C)=O)c1ccc(Br)cc1.
What is the InChIKey of N-[acetamido-(4-bromophenyl)methyl]acetamide?
The InChIKey is NCHPIBXOKZYAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7(15)13-11(14-8(2)16)9-3-5-10(12)6-4-9/h3-6,11H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[acetamido-(4-bromophenyl)methyl]acetamide?
N-[acetamido-(4-bromophenyl)methyl]acetamide has a molecular weight of 285.14 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[acetamido-(4-bromophenyl)methyl]acetamide is sourced from PubChem (CID 2830161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).