N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide

C16H17BrN2O2 — CID 62871519

IUPACN-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
SMILESCC1=C(C=CC(=C1)OC)NCC(=O)NC2=CC=C(C=C2)Br
InChIInChI=1S/C16H17BrN2O2/c1-11-9-14(21-2)7-8-15(11)18-10-16(20)19-13-5-3-12(17)4-6-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyOMIJLBZCYBTOEB-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.80
Rot. Bonds5

About N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide

N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide (PubChem CID 62871519) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
PubChem CID62871519
Molecular FormulaC16H17BrN2O2
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC NameN-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
SMILESCC1=C(C=CC(=C1)OC)NCC(=O)NC2=CC=C(C=C2)Br
InChIInChI=1S/C16H17BrN2O2/c1-11-9-14(21-2)7-8-15(11)18-10-16(20)19-13-5-3-12(17)4-6-13/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyOMIJLBZCYBTOEB-UHFFFAOYSA-N
XLogP3.80
TPSA50.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity332

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide (CID 62871519) is N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide is CC1=C(C=CC(=C1)OC)NCC(=O)NC2=CC=C(C=C2)Br.
What is the InChIKey of N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide?
The InChIKey is OMIJLBZCYBTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-9-14(21-2)7-8-15(11)18-10-16(20)19-13-5-3-12(17)4-6-13/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide?
N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide has a molecular weight of 349.22 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide is sourced from PubChem (CID 62871519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).